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reverse transformation
- nivedita
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11 years 7 months ago #1163
by nivedita
reverse transformation was created by nivedita
Hello Sir,
im using Martini force field for coarse grained simulation and i want to reverse transform the cg into fine grained(fg) .for generating fg.top what i do is that:
pdb2gmx of protein then editconf ,genbox ,grompp then genion because in this case system has 2 positive charge .final topology file i have taken as a input for g_fg2cg .
will you please tell me is it right or if it is not then how i generate fg.top file.
im using Martini force field for coarse grained simulation and i want to reverse transform the cg into fine grained(fg) .for generating fg.top what i do is that:
pdb2gmx of protein then editconf ,genbox ,grompp then genion because in this case system has 2 positive charge .final topology file i have taken as a input for g_fg2cg .
will you please tell me is it right or if it is not then how i generate fg.top file.
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- xavier
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11 years 7 months ago #1165
by xavier
Replied by xavier on topic reverse transformation
It looks fine. You have to make sure the fg topology corresponds to the same system as in the CG topology: number of residues, water molecules, lipids ...
nivedita wrote: Hello Sir,
im using Martini force field for coarse grained simulation and i want to reverse transform the cg into fine grained(fg) .for generating fg.top what i do is that:
pdb2gmx of protein then editconf ,genbox ,grompp then genion because in this case system has 2 positive charge .final topology file i have taken as a input for g_fg2cg .
will you please tell me is it right or if it is not then how i generate fg.top file.
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