Hi there,
I see amber11/src/antechamber/parmjoin.c
and I was wondering if this code works, and how, and if it would do what I
suspect, I mean:
> parmjoin -p parm99.dat -m gaff.dat -o test.dat
or
> parmjoin -p gaff.dat -m frcmod.ff99SB -o test.dat
So, in the end I want to try to merge parm99.dat + gaff.dat + frcmod.ff99SB
+ frcmod.parmbsc0 rather than by hand (actually I have a python function to
try to do that but it would be great to check it against parmjoin for
example).
Cheers,
Alan
--
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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Received on Wed Apr 21 2010 - 02:00:02 PDT
