[gmx-users] is there any reasonable way to produce a custom topology?

Yang Ye leafyoung81-group at yahoo.com
Thu Feb 23 02:29:29 CET 2006

Yegor Isakov wrote:
> I would be extremely pleased if anybody would tell me how could I foce 
> that stupid pdb2gmx program to follow the path to the directory 
> containing .itp files (~/share/top).
> Although in the manual it was recomended to avoid modifying .rtp 
> files, that is the only way I found to produce a topology 
> "semi-automatically." Is there any other  reasonable way to produce a 
> topology? Is anywhere more intelegent converter of pdb files? Is 
> anywhere a program that permits creating a stable bond between 2 
> atoms  in a topolgy without blowing up the last one?
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Yang Ye

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