[gmx-users] top file

Justin A. Lemkul jalemkul at vt.edu
Fri Jul 9 05:10:40 CEST 2010

jojo J wrote:
> Helllo,
> I got top file using pdb2gmx but I did not comment unnecessary lines at 
> the end of the file ( no water in my system
> ). With this top file I energy minimized my system. I wanted to know if 
> I am fine ...?

Depends on your definition of "fine."  Do you mean to ask if you've done the 
procedure right, or if the results should be trusted, or something else?


> 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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