[gmx-users] Nitrate parameters CHARMM

Ullmann, Thomas thomas.ullmann at mpibpc.mpg.de
Thu Feb 18 21:38:27 CET 2016

Hi Tyler,



From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Tyler Cropley [tyler.cropley at wagner.edu]
Sent: Thursday, February 18, 2016 8:44 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] Nitrate parameters CHARMM

Dear Gromacs users,

We are trying to set up simulations using the nitrate anion. Unfortunately,
the CHARMM force field does not support nitrate. Does anyone know the
parameters needed or can point me to a paper that contains them.

Thank you!
Tyler Cropley
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