[gmx-users] problem regarding the aspartic acid representation

Tsjerk Wassenaar tsjerkw at gmail.com
Wed Aug 22 19:27:01 CEST 2007

Hi Gurpreet,

Try pdb2gmx -h

There's a number of options for choosing these things interactively.
The one you want is -asp (pdb2gmx -asp). It's worthwhile reading the
manual/manpages to see what the programs can do, and what options they



On 8/22/07, gurpreet singh <gps.iitm at gmail.com> wrote:
>  Helllo users
>  It seams that gromacs can only take Aspartate not aspartic acid. Is it
> true?
>     If no than what is the way to do that
>     I am using the G43a1 force field during pdb2gmx
>     Thanks & Regards
>     Gurpreet
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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