[gmx-users] Flexible and posres
jalemkul at vt.edu
Wed Feb 14 18:20:33 CET 2018
On 2/14/18 12:18 PM, Iman Ahmadabadi wrote:
> Dear Mark,
> I forgot the D in -DPOSRES in the previous email. However I used the
> "define = -DFLEXIBLE -DPOSRES" but it doesn't work and position restraint
> was not applied on the atoms. Is there another way to solve the problem?
What proof can you offer that the restraints did not work? What you have
above is correct syntax and has worked in GROMACS versions dating back
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129
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