AMBER Archive (2000)

Subject: Harmonic restraints on distances in sander

From: Marios Philippopoulos (mphilip_at_sickkids.on.ca)
Date: Mon Mar 06 2000 - 14:23:40 CST


Is it possible to impose harmonic restraints on inter-atomic distances
during an MD run using sander? Would I have to use the NMR utilities for
that purpose (section 4 of the sander manual)? I want to perform an
umbrella sampling calculation.

Thank you for any replies,

Marios Philippopoulos

--
Marios Philippopoulos, PhD
Structural Biology and Biochemistry Programme
Hospital for Sick Children
555 University Avenue
Toronto Ontario Canada M5G 1X8

mphilip_at_sickkids.on.ca