From: Giovanni Bellesia (gbellesia_at_chem.ucsb.edu)
Date: Mon Apr 17 2006 - 17:34:57 CDT
I need to build a peptide with ACE and CT2 termini and run a MD
simulation with the OPLS-AA force field.
I always used charmm top and par files in my simulations so far and I
had no problems since both the ACE and the CT2 termini
are included in the charmm topology file.
Now, that I have to use OPLS-AA top and par files I notice that the CT2
terminus is not included in the opls-aa top file
Any idea how to get the topology for the CT2 terminus ?
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:41:56 CST