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