Re: ATP molecule

From: L. Michel Espinoza-Fonseca (
Date: Thu Jul 19 2007 - 10:42:06 CDT


You should use the latest version of psfgen, which can read .str
files. To call the file, you simply add the following line:

topology your_stream.str

Remember that you should use the stream files together with the parent
files (i.e., the .rtf ones).

Good luck,

2007/7/19, snoze pa <>:
> Dear NAMD Users,
> I want to simulate ATP molecule, which is in toppar_all27...str file.
> Somehow, psfgen is not accepting the charmm str file.
> Anybody can help me how can I use .str parameter file in psfgen.
> thanks in advance.

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