[gmx-users] Noive to gromacs : MD for zeolitic system

anjaiah Nalaparaju 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.
Best Regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080308/2615218d/attachment.html>

More information about the gromacs.org_gmx-users mailing list