[gmx-users] Carbon double bond in Gromos

[Sotirios Dionysios I. Papadatos]

For this I would suggest the following. From your structure remove any ligands and then run pdb2gmx. Open the parameter file and the original file with a visualization tool. Find a carbon from any aminoacid that has a double bond. Check for its name in the force field directory, there you will also find out its type and any other info you need. Trust me it's better to find it yourself.

________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Faust SHI <shi86 at wisc.edu>
Sent: Thursday, October 20, 2016 8:24:11 AM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] Carbon double bond in Gromos

Hi,

Does anyone know the names of atom type and bonds parameters that stand for the carbon double bond in gromos54a7 force field?
Thanks a lot!

Yours sincerely,
Faust
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