On 12/17/12 9:06 AM, Eduardo Oliveira wrote:
OK, so if i got this right all I have to do is add another line in the mdp file
with refcoord_scaling = com? I thought that i had to make a substitution in one
of the existing terms.
Right, it's a new term entirely (see the manual). All keywords have a default
setting that is accepted if not explicitly given in the .mdp file. For
refcoord_scaling, the default is "no," which will trigger the warning you got
when used with position restraints.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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