AMBER Archive (2002)

Subject: parm94.dat file

From: x357l (x357l_at_unb.ca)
Date: Tue Feb 12 2002 - 12:21:44 CST

Hello

In the parameter development section of the manual in the improper torsional
section, it states that wild card improper torsional parameters must follow
the explicit ones. This makes sense, except that when I looked at the
parm94.dat, for proper and improper torsionals, the wild card propers and
impropers are before the explicit ones. Is that okay and does it matter where
the wild card parameters are?

My second question is regarding the frcmod file: When there is duplicate
definition in the frcmod file as in the parm.dat (eg improper with a different
PK), does the frcmod one override the parm.dat one? Is it like that for all
parameters, especially proper and improper torsionals? If I load both my
frcmod and the parm.dat file, are there going to be conflicts? I have read the
information in the manual and on the website, but I am still a bit unsure.

Any help would be appreciated