SMD constant velocity pulling

From: B. Nandy (
Date: Wed Dec 01 2010 - 02:51:41 CST

Dear NAMD user,

I have question regarding SMD simulation using constant velocity pulling.
I have noticed in different examples that one should switch of the
constant temperature control during constant velocity SMD pulling. But
following this method the temperature has increased unreasonably in my
system. On the other hand using langevin on temperature remains
constant but I am getting a huge amount of dragging force. So please
suggest me how to deal with the dragging force when thermostat is on.

Thanking you

Bidisha Nandy
IISc Bangalore

This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:25 CST