Just added frcmod.ff03 to the tree. Parm03.dat, which has a few minor
changes relative to parm99.dat, should be depreciated soon. Now
leaprc.ff03 will load
parm99.dat +
frcmod.ff03 +
all_nucleic94.lib +
all_aminoct94.lib +
all_aminont94.lib
I will replace the latter two with updated C- and N- libs. It now can
work on proteins (not just small ACE- and -NMR terminated peptides).
Still kept leaprc.ff03.old around, just in case ...
yong
Received on Wed Apr 05 2006 - 23:50:07 PDT
