AMBER Archive (2002)

Subject: parmchk -p option

From: Thomas.Fox_at_bc.boehringer-ingelheim.com
Date: Fri Nov 29 2002 - 04:09:09 CST

Hi -

for a non-standard residue I was trying to use parmchk to check which FF
parameters
are present in the standard FF file (e.g. parm94.dat). If I understand the
documentation
for parmchk correctly, the option -p can be used to switch from gaff.dat to
another
parameter file. However, this does not seem to work, and it looks as if I
always get parameters
extracted from gaff.dat. Looking at the source for parmchk it seems to me as
if this input argument is never used, and no matter what you put there,
parmchk
always reads from gaff.dat
Am I mistaken? Or is there a deeper reason for this behavior?

Thanks a lot,
Th.

> Dr. Thomas Fox
> Dept. Chemical Reseach / Structural Research
> K91-00-10
> Boehringer Ingelheim Pharma KG
> 88397 Biberach/Germany
> Thomas.Fox_at_bc.boehringer-ingelheim.com
>
>