[gmx-users] GMO simulation
jalemkul at vt.edu
Sun Apr 14 13:34:19 CEST 2019
Please don't reply to the whole digest.
On 4/14/19 6:08 AM, Ayesha Fatima wrote:
> Thank you Rahul for the response. I tried that but still cant see it.
> In addition to my previous question,. how do we restrain the lipid membrane
> in one direction only. I came across the GROMACS documentation where it
> sytes the freedim parameter. Is it placed in the pull md parameter file of
> Thank you
You do not want freezedim; freezing is a severe perturbation and is
unphysical (though it does have its uses in certain situations).
The position-restrain a bilayer to a plane, apply a restraining force
only in one dimension, e.g. z if the membrane plane is in x-y:
; atom type fx fy fz
N 1 0 0 1000
where N is the atom number to be restrained (e.g. P in a phospholipid)
Justin A. Lemkul, Ph.D.
Office: 301 Fralin Hall
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