[gmx-users] Handling modified residue

J. Rui Rodrigues joaquim.rodrigues at estg.ipleiria.pt
Sat Nov 14 18:49:35 CET 2009


pdb2gmx first looks for files in your working directory, and then in gromacs directory.

Hope this helps,
Rui Rodrigues

On Sat, 14 Nov 2009 12:05:04 -0500, Jiang Zhu wrote
> Dear all,
>         I have been a GROMACS user for some time but this is my first time
> to handle a modified residue with an additional chemical group linked to the
> side chain. I do not have the permission to change/add the topology file in
> the system directory where GROMACS package is located. I am wondering if
> there is any other way to force pdbgmx to read residue topo file from
> specified location or other tricks I can play. Thanks for your help!
> Best regards,
> Jiang

Webmail ESTG de Leiria (http://webmail.estg.ipleiria.pt)

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