Especially if you have a compatible Graphics card, the Zephyr app (https://simtk.org/home/zephyr) is GPGPU-enabled with very good speedups for some approaches. Uses VMD & Gromacs.
versions for Win/Lin/Mac hjm On Thursday 30 July 2009 00:19:30 Shameer Khadar wrote: > Gromacs is your best friend or NAMD for sure. > > Cheers, > K. Shameer > NCBS - TIFR > > On Wed, Jul 29, 2009 at 6:54 PM, VIPIN THOMAS <[email protected]> wrote: > > Hi, > > > > Can anyone suggest me a simulation tool, preferably a freeware, with > > features like structure refinement, energy minimisation and dynamics > > simulations. > > > > Thanks in advance > > VIPIN > > > > -- > > VIPIN THOMAS > > Nila, Techno Park > > Thiruvananthapuram > > INDIA- 695 581 > > www.sooryakiran.com > > Ph: 91-9895429350 > > _______________________________________________ > > BBB mailing list > > [email protected] > > http://www.bioinformatics.org/mailman/listinfo/bbb > > _______________________________________________ > BBB mailing list > [email protected] > http://www.bioinformatics.org/mailman/listinfo/bbb -- Harry Mangalam - Research Computing, NACS, Rm 225 MSTB, UC Irvine [ZOT 2225] / 92697 949 824-0084(o), 949 285-4487(c) MSTB=Bldg 415 (G-5 on <http://today.uci.edu/pdf/UCI_09_map_campus.pdf> --- pedalogogues: people who insist on riding bicycles to work and expect you to also. -karen lyons kalmenson- And yes, I am one. _______________________________________________ BBB mailing list [email protected] http://www.bioinformatics.org/mailman/listinfo/bbb
