[gmx-users] Create file topology in oplsaa

[Ebert Maximilian]

you can also look at this tutorial if you want to have starting point for generating topologies:

http://www.esi.umontreal.ca/~pelletjo/gromacs/

max

On Jul 21, 2015, at 9:52 AM, gozde ergin <gozdeeergin at gmail.com<mailto:gozdeeergin at gmail.com>> wrote:

Gromacs has OPLSAA force field. You can use pdb2gmx command.

Also you can use topolbuild software. If you google it, you can easily find
how to use it.

On Tue, Jul 21, 2015 at 2:38 PM, Daniele Veclani <danieleveclani at gmail.com<mailto:danieleveclani at gmail.com>>
wrote:

Dear users

I'm trying to create a topology file  for a molecule to oplsaa force fields

How can I do this?

I have read that I can do this with the program MKTOP but I can not use it.

Is there a tutorial for this program?

Best regards
Daniele.
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