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backward.py errors
- chandrimaM
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1 year 9 months ago #9457
by chandrimaM
backward.py errors was created by chandrimaM
Hi,
I am trying to back map my cg model however it is showing following error
ERROR
home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/backward.py -f CG_posre.gro -raw projected.gro -o 0-backward.gro -kick 0.05 -sol -p topol.top -po backmapped.top -n backmapped.ndx -from martini -to charmm36 -solname SOL
Error reading amber to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amber94 to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amber96 to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amber99 to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amber99sb to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amber03 to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amberGS to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Traceback (most recent call last):
File "/home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/backward.py", line 306, in <module>
class Structure:
File "/home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/backward.py", line 380, in Structure
if backbone and not backbone[-1]:
NameError: name 'backbone' is not defined
I am trying to back map my cg model however it is showing following error
ERROR
home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/backward.py -f CG_posre.gro -raw projected.gro -o 0-backward.gro -kick 0.05 -sol -p topol.top -po backmapped.top -n backmapped.ndx -from martini -to charmm36 -solname SOL
Error reading amber to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amber94 to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amber96 to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amber99 to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amber99sb to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amber03 to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Error reading amberGS to martini mapping for GMO (file: /home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/Mapping/thr.charmm36.map).
Traceback (most recent call last):
File "/home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/backward.py", line 306, in <module>
class Structure:
File "/home/ajgroup/Chandrima/BA.1/atom/Mapping_Martini3/aquaporine_backmap/test/backward.py", line 380, in Structure
if backbone and not backbone[-1]:
NameError: name 'backbone' is not defined
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