amidated C-terminus (NH2) with OPLS force field

From: Giovanni Bellesia (
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 ?


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