[gmx-users] Drude format file

[Justin Lemkul]

On 10/26/17 3:20 AM, limingru wrote:
> Hi gmx users or developers,			I am trying to do some Drude polarizable simulations using GMX. How to convert coordinate file (e.g pdb) into Drude format file? Thanks in advance.

There is no special "Drude format" for coordinate files. If you're 
referring to building on Drudes and lone pairs, pdb2gmx does all of that 
for you.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

==================================================