Harmonic restraints on distances in sander

From: Marios Philippopoulos <mphilip_at_sickkids.on.ca>
Date: Mon 06 Mar 2000 15:23:40 -0500

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
Received on Mon Mar 06 2000 - 12:23:40 PST
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