Hi All,
I am working with leaprc.ff03. Here i notice while running tleap that two
parameter files parm99.dat & frcmod.ff03 are loaded. I also notice that
frcmod.ff03 contains some duplicate torsion parameters e.g. N-CT-C-N (i.e.
N-CT-C-N parameters occur both in parm99.dat & frcmod.ff03). Does it mean
that the original parameters are overwritten or they both are used
together in summation. Also a possible bug, in parm99.dat occurs CT-CT-N
-C and in frcmod the same occurs as C -N -CT-CT.
Thanks
---------------------------------
Now that's room service! Choose from over 150,000 hotels
in 45,000 destinations on Yahoo! Travel to find your fit.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jul 01 2007 - 06:07:28 PDT
