[gmx-users] How to deal with the top files

Justin A. Lemkul jalemkul at vt.edu
Sun Apr 11 05:08:30 CEST 2010

kecy_wu at sina.com wrote:
>  Hello,I have one box,which has two kinds of  solvents and two kinds of 
> solutes. How can I  put  the infermation  of them in one top fles,

Please see Chapter 5 for topology specifications, as well as:


> or what shall I do  to Setup the energy minimization, for the 
> infermation is not in the same top file ?

Please read the manual and consult some basic tutorial material.  Topologies and 
run parameters are very different concepts (and files).


> Thank you !


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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