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backmapping of Cholesterol molecule from CG model to atomistic
- shwetaa7
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4 years 7 months ago - 4 years 7 months ago #8227
by shwetaa7
backmapping of Cholesterol molecule from CG model to atomistic was created by shwetaa7
I have Martini coarse-grained model of protein in complex with cholesterol. I have followed the backmapping tutorial (
md.chem.rug.nl/index.php/tutorials-gener...others-gmx5#Backward
). Now, I am trying to backmap my system (protein-cholesterol), it does not work. It works for protein only.
I am using the charm36 forcefield, and the initram-v5 script for backmapping.
For cholesterol it says:
Checking dependencies:
backward.py ... Missing dependency: backward.py
Thanks in advance
I am using the charm36 forcefield, and the initram-v5 script for backmapping.
For cholesterol it says:
Checking dependencies:
backward.py ... Missing dependency: backward.py
Thanks in advance
Last edit: 4 years 7 months ago by shwetaa7.
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- riccardo
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4 years 6 months ago #8240
by riccardo
Replied by riccardo on topic backmapping of Cholesterol molecule from CG model to atomistic
This error really means just that "initram.sh" cannot find "backward.py", that is, backward.py is not in the same folder where you run initram.sh. So, I wouldn't believe that the same script in that same folder would manage to backmap the protein-only system but not the protein+cholesterol. Maybe you created a new folder and forgot to copy paste also "backward.py" in there?
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