Re: Membrane Protein Simulation Problems

From: Marcos Sotomayor (sotomayo_at_ks.uiuc.edu)
Date: Sat Oct 13 2007 - 13:51:01 CDT

Ilya,

>From your conf and log file I found what might be the real problem. Is
there any reason why you are not using a switching function?

>From conf file:
switching off
switchdist 10.5
pairlistdist 12.5

>From log file:
Warning: The following variables were set in the
Warning: configuation file but were not needed
Warning: switchdis

you should have switching on. Have a look at:
http://www.ks.uiuc.edu/Research/namd/2.6/ug/node24.html

Marcos

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