[gmx-users] gmembed
Justin A. Lemkul
jalemkul at vt.edu
Mon May 30 13:06:32 CEST 2011
Sweta Iyer wrote:
> Hi,
> I am trying to insert my protein dimer complex in a membrane using the
> g_membed tool.
> I made an index group where I saved the monomers as separate groups and
> mentioned the same groups in the .mdp file.
This should not be necessary. If both are protein, then they belong to the
"Protein" default group and no such index group is required.
> However, it gives me an error saying "Freeze value does not match :There
> are 2 freeze groups and 3 freeze values"
>
Without seeing your .mdp settings, it is hard to say what is wrong. The manual
explains how to use the freezegrps and freezedim keywords properly:
http://manual.gromacs.org/online/mdp_opt.html#neq
-Justin
>
>
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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