AMBER Archive (2004)

Subject: AMBER: AMBER7 : update force field gaff.dat and parm99.dat

From: Guillaume Bollot (Guillaume.Bollot_at_chiorg.unige.ch)
Date: Thu Jun 24 2004 - 07:48:39 CDT

Hello,
I would like to know how to update the force field (GAFF.dat) in AMBER7.
I downloaded gaff.dat from Amber website and when I replace the old force
field gaff by the new (/usr/local/amber7/leap/dat/parm) there's nothing
change and parmchk crash.
(parmchk -i file.prepi -f prepi -o file.frcmod -p gaff.dat)
My problem is that my old force field have not parameters to biphenyl
junction and I want to use this news force field but also parm99.dat.
How to do?
Did I do the good manipulation?

Thanks a lot in advance.

Bollot Guillaume, group Mareda, University of Geneva.

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