[gmx-users] .gro to .pqr

[Justin A. Lemkul]

Mona Habibi wrote:
> Hi,
> I have a single file in .gro  format and I want to change it to pqr format.
> I was wondering if there is anyway to make it?
> I tried to write the file with exactly the same format of pqr , but VMD 
> can not read my file.

editconf -mead outputs a .pqr file from an input coordinate (.gro, .pdb, etc) file.

-Justin

> 
> Thank You.
> -- 
> Mona Habibi
> Ph.D student
> Biological and Condensed Matter Physics Group,
> Dept. of Applied Mathematics, the University of Western Ontario,
> 1151 Richmond St. North, London (ON),  Canada N6A 5B7
> Email: mhabibi2 at uwo.ca <mailto:mhabibi2 at uwo.ca>
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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