Dear Amber users,
What radii and epslion does one need to use with hydrogens like
THR-HG1 and TYR-HH while performing minimization? I am currently using the
same definition as HS (0.6A,0.0157Kcal/mol).
In the parm94.dat the type HO is defined as (0,0). This definition during
minimaztion might cause to atom overlap and therefore to un-physical values
for the energy and gradient.
-omer
Received on Mon Jul 02 2001 - 18:49:27 PDT
