Justin A. Lemkul wrote:
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.
...although in order to write all the necessary information, you would need a
.tpr file. A .gro contains only coordinates, not charges, etc.
-Justin
--
========================================
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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