AMBER Archive (2001)

Subject: vdw parameters for:THR-HG1, TYR-HH

From: Omer Katzenelson (katz_at_SDSC.EDU)
Date: Mon Jul 02 2001 - 20:49:27 CDT

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