[gmx-users] (no subject)

Zhen Qin Zhen.Qin at hec.utah.edu
Thu Jun 3 18:17:43 CEST 2004

I think you can add frozen the other residues by add a posre.itp, and add
include that file in your protein.top file.

the protein.top file looks like:

#include "ffgmx.itp"
#include "protein.itp"
#include "posre.itp"
#include "flexspc.itp"

[ system ]

[ molecules ]
protein    1
SOL     1234

  H~a~v~e a g~o~o~d d~a~y  *^_^*

On Thu, 3 Jun 2004, sara pistolesi wrote:

> Hi, I'm Sara.
> I have to perform a MD on a protein of 88 residues and I need to run my
> simulation only on four residues. I'm not expert with GROMACS so I don't
> know what I have to do: have you any suggestions?Thank you very much,
> Sara.
> _________________________________________________________________
> Filtri antispamming e antivirus per la tua casella di posta
> http://www.msn.it/msn/hotmail
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list