AMBER Archive (2007)

Subject: AMBER: Setting nonbonded cutoff to 1

From: Hayden Eastwood (s0237717_at_sms.ed.ac.uk)
Date: Mon Jul 16 2007 - 12:27:45 CDT

 
Dear AMBER users

I would like to run an MD simulation in which I invoke a non-bonded cut off
of 1. However, when I try a very low value (such as 1), I get an error
message saying, " unreasonably small cut for non-periodic run". Is there any
way I can stop it from crashing out? Ie what in the AMBER code must I modify
to prevent the simulation halting on the basis of "unreasonable" parameters
such as this?

Many thanks in Advance

Hayden Eastwood

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu