[AMBER] about parmjoin

From: Alan <alanwilter.gmail.com>
Date: Wed, 21 Apr 2010 09:40:04 +0100

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


> 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


Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
AMBER mailing list
Received on Wed Apr 21 2010 - 02:00:02 PDT
Custom Search