[gmx-users] Vacuum FF in Gromacs-4.0.5

[Berk Hess]

Hi,

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.

Berk

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



Hi,

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 ?

Regards,
Nikhil







       
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