[gmx-users] Vacuum FF in Gromacs-4.0.5

Berk Hess gmx3 at hotmail.com
Fri Jan 29 08:29:29 CET 2010


I removed this force field on purpose.
The name is already very confusing. It is not a vacuum force field at all.
It is an implicit solvent force field, but a quite bad one.
It only scales down the charges on groups with net charge.
If you really want to simulate a protein in vacuum do NOT use this force field.

If you really, really want to use this force field, download an old Gromacs
distribution and copy the parameter files.


Date: Fri, 29 Jan 2010 12:23:02 +0530
From: pdnikhil at yahoo.co.in
To: gmx-users at gromacs.org
Subject: [gmx-users] Vacuum FF in Gromacs-4.0.5


I wanted to inquire about the vacuum FF distributed officially with GROMACS-4.0.5. I wish to carry out a vacuum MD of ~300 aa protein

FF.dat file mentions of G43b1 as officially distributed vacuum FF. But there are no FF related files-.rtp,.hdb etc present. Is that the case that GROMACS-4 is improperly installed at my end or do I have to get these FF files from some external source ?


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