[gmx-users] Noive to gromacs : MD for zeolitic system
anjai.che at gmail.com
Sat Mar 8 04:16:14 CET 2008
Dear Gromacs users,
I would like to try Gromacs to conduct MD on my system which has, Zeolite(
Ti,Si,O elements with pore and extraframework cations like Na+), water as
solvent and some counterions in water. I am intrested to study the
ionexcahnge in this system. I tried Dl_POLY but because of expensive CPU
time, I am badly looking for another package which will help in fast
computations.Any help and suggestions regarding this issue will be greatly
Thank you for your time in advance.
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