[gmx-users] question about new residue

reisingere at rostlab.informatik.tu-muenchen.de reisingere at rostlab.informatik.tu-muenchen.de
Mon Oct 1 22:59:15 CEST 2012

Hi everybody,
 I want to do a md run. But I have a problem. I have additional residues
which are not in the aminoacid.rtp file.
I already read the site about "Adding a Residue to a Force Field".
But the problem is that I am not allowed to change anything at the
topology files on the server I want to run the job. I have to run it on
this server because on my computer it would take way to long.

So is there another possibility to add the new residues to the topology or
offer them to gromacs.
Or can I do all the preparing steps until the md run local on my computer
where I already changed the topologies so that all the input files which
aare produced by grompp and are needed by the md-run are already there.

Thank you for your help,

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