[AMBER] PMEMD Distance Restraints

From: Parker de Waal <Parker.deWaal.vai.org>
Date: Sat, 20 Sep 2014 20:55:44 +0000

Hi Everyone,

I was reading through the manual to see if I could apply distance constraints between a number of residues in a PMEMD.CUDA run simulation, however it looks like NMR type restraints only work in SANDER.

Does anyone know if there is an approach to add such constraints in a PMEMD simulation?

Best,
Parker

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Sep 20 2014 - 14:00:02 PDT
Custom Search