[gmx-users] potassium ion incorporation in GROMOS53a6 forcefield

[#ZHAO LINA#]

When I went a bit further, I found it's wrong.

Sorry.
________________________________
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on behalf of #ZHAO LINA# [ZHAO0139 at e.ntu.edu.sg]
Sent: Monday, November 22, 2010 4:50 PM
To: Discussion list for GROMACS users
Subject: RE: [gmx-users] potassium ion incorporation in GROMOS53a6 forcefield

I just tried the same way as using NA+, by

 genion -s ions.tpr -o protein_solvated_ions.gro -p topol.top -pname K+ -nname CL- -np Number_of_K

It works, u may do a try.

lina
________________________________
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on behalf of Jignesh Patel [jbp087 at gmail.com]
Sent: Monday, November 22, 2010 3:57 PM
To: gromacs user
Subject: [gmx-users] potassium ion incorporation in GROMOS53a6 forcefield

Dear all,

Can anybody tell me how to incorporate potassium ion parameters in GROMACS for GROMOS53a6 forcefield.

Thanking you in anticipation.

With regards,
Jignesh


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