[gmx-users] How to install a new force-field?

ZHANG Cheng 272699575 at qq.com
Sun Dec 23 15:54:26 CET 2018

Thank you Justin. Do you know how to use the "define = -DUSE_OLD_C36" as shown on 

I want to make sure the CHARMM36m is used instead of CHARMM36.

------------------ Original ------------------
From:  "ZHANG Cheng"<272699575 at qq.com>;
Date:  Sun, Dec 23, 2018 10:38 PM
To:  "gromacs.org_gmx-users"<gromacs.org_gmx-users at maillist.sys.kth.se>;

Subject:  How to install a new force-field?

Dear Gromacs users,

In the pdb2gmx command, we are asked to select the force field to simulate our protein system. I am told that a99SB-disp and CHARMM36m are better force-field for the proteins. But both of them are not the default ones. Can I ask

1) What is the latest officical website to download them?
At this website,
I could not find a99SB-disp and CHARMM36m.

2) How to install them?
Is there a step-by-step instruction for the installation?

Thank you.

Yours sincerely

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

Developing a molecular dynamics force field for both folded and disordered protein states

More information about the gromacs.org_gmx-users mailing list