[gmx-users] Usage of GROMACS

[Momin Ahmad]

Hello,

is GROMACS meant to be used for simulations of crystaline structures 
(Metal Organic Frameworks, porous materials, minerals, ...)? Almost 
every paper working on MD simulations with said structures use DL_Poly 
or other software. So my question would be is there a community that 
uses GROMACS to simulate crystaline structures? Porting .cif files to 
pdb and then trying to run pdb2gmx with writing a .rtp file is very time 
consuming.

Cheers
Momin

-- 
Momin Ahmad

Karlsruhe Institute of Technology (KIT)
Steinbuch Centre for Computing (SCC)
Hermann-von-Helmholtz-Platz 1
76344 Eggenstein-Leopoldshafen
Phone: +49 721 608-24286
E-Mail: Momin.Ahmad at kit.edu