AMBER Archive (2007)

Subject: AMBER: multichain simulations

From: priya priya (priyaanand_27_at_yahoo.co.in)
Date: Tue Oct 02 2007 - 04:31:26 CDT

Dear All,

I am trying to run MD using multi chain system in implicit solvent by setting up a box using setBox command in leap, but generalized born simulations can only be run for non-periodic systems, so the chains are diffusing away from each other during the simulation run.
What options can I use to keep the chains in a box (not flying far away from each other) whose dimensions I am specifying.

Regards
priya

       
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