[gmx-users] intermolecular distance restrains

Justin A. Lemkul jalemkul at vt.edu
Thu Sep 2 16:39:10 CEST 2010

nahren manuel wrote:
> Dear Gromacs Users,
> I am presently using gromacs4.5 beta(since I want implicit solvent). I 

No need to use a beta version, the official 4.5 has been released.

> wish to apply intermolecular distance restraints.
> To my surprise there is no merge option in pdb2gmx (although pdb2gnx -h, 
> says it has). So is there a new alternative to create intermolecular 
> distance restrains.

Use pdb2gmx -chainsep.


> Best,
> nahren


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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