[gmx-users] adding multi-residue molecules in solution

Justin A. Lemkul jalemkul at vt.edu
Fri Sep 4 14:49:09 CEST 2009

milad ekramnia wrote:
> Hi dear gromacs users
> how can I insert molecules with more than 1 residue (like a multi-residue protein ) in my box beside the main one  
> and is there a way to set the distance between their Center of masses in the box ? 

Careful use of editconf to specify where each molecule should be centered within 
the box will do the trick.


> thanks  all


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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