[gmx-users] Erik Lindahl,Gromos96 43a2x
lindahl at stanford.edu
Tue Feb 11 08:00:14 CET 2003
On Monday, Feb 10, 2003, at 22:26 US/Pacific, nanyu101 wrote:
> Dear Dr.Erik Lindahl,
> I have found 43a2x force field.By the way,I met another question.If
> I want to choose a bilayer,such as POPC,DPPC in Dr.Tieleman's web.The
> itp file are all ffgmx format.How can I convert it into 43a2 force
Manually - although the gmx and Gromos96 forcefields are relatively
similar there is no way conversions between forcefield can be reliably
automated - a computer program cannot guess which atom type is most
appropriate for each position in the lipid.
You can either hack the topology from scratch, or create entries in
ffG43a2.rtp for the different lipid types (see the manual for details).
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