Regular parm.dat files can be used instead of frcmod files
in leap, however since the format is less intuitive, there
is greater potential for human error.
http://amber.ch.ic.ac.uk/formats.html#frcmod
Bill Ross
I am confused about the frcmod file which allows to modify the force
field parameters.
In Amber 4.1 this was done via the parm program. The parm documentation
gives a description of the
frcmod file format which differs from the parm9x.dat files (for instance
the keywords MASS, BOND, ...)
In amber 6.0 both parm94.dat and frcmod files are loaded via the same
leap command
parm94 = loadamberparams parm94.dat
frcmod = loadamberparams frcmod.pcy
(see tutorial p 22)
but the format of both files seems to be different.
I do not find the format of the frcmod files in the amber 6.0
documentation.
Can I use the format of a parm9x.dat file to modify the parameters ?
thanks a lot for your help
mathy froeyen
Received on Wed Dec 13 2000 - 09:57:27 PST
