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g_fg2cg
- nivedita
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11 years 7 months ago #1164
by nivedita
g_fg2cg was created by nivedita
Hello Floris,
I have one doubt ,how to generate fg.top file because protein has overall 2 positive charge? .what i do is that , simulate starting atomistic structure till minimization and use the topology file as fg.top .
Please tell me ,this is the right way to do because when i use this topology file for running g_fg2cg it saying "Name of CG water in topology should be W" and "segmentation fault ".
I have one doubt ,how to generate fg.top file because protein has overall 2 positive charge? .what i do is that , simulate starting atomistic structure till minimization and use the topology file as fg.top .
Please tell me ,this is the right way to do because when i use this topology file for running g_fg2cg it saying "Name of CG water in topology should be W" and "segmentation fault ".
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- xavier
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11 years 7 months ago #1167
by xavier
Replied by xavier on topic g_fg2cg
The fg and CG topologies should correspond to the same system!
nivedita wrote: Hello Floris,
I have one doubt ,how to generate fg.top file because protein has overall 2 positive charge? .what i do is that , simulate starting atomistic structure till minimization and use the topology file as fg.top .
Please tell me ,this is the right way to do because when i use this topology file for running g_fg2cg it saying "Name of CG water in topology should be W" and "segmentation fault ".
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