Pathumwadee Intharathep wrote:
Dear gmx-user,
Do I define position and distance restrain simulteneusly?
my md.mdp has set as below
but it works only for position restrain.
Right, because multiple instances of the same parameter get discarded. Combine
both define statements on one line:
define = -DPOSRES -DDISRES
-Justin
title = M2_amand in POPC
cpp = /lib/cpp
define = -DPOSRES
define = -DDISRES
constraints = all-bonds
disre = simple
integrator = md
thanks in advance
pathum
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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