On Tue, Jun 12, 2012 at 4:42 PM, rama david <ramadavidgr...@gmail.com>wrote:
> THANK YOU Justin, > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > Hello Justin, In the last message you said "SA protocol simply heats and cools water, which I don't think accomplishes much".. can you suggest the other paramaters that must be used achieve, lets say the proper folding of loops in a GPCR. Secondly.,,In temperature coupling he used 310 for the non protein system and a range of temeratures from 310-323-310 for simulated aneealing.. how the program treats the couling temperatures and annealing temperatures (310 and 310-323-310).. Can you explain what temperature is applied to what groups in simple membrane system with a GPCR system.. ; Temperature coupling is on tc-grps = Protein Non-Protein ; two coupling groups - more accurate ref_t = 310 310 ; reference temperature, one for each group, in K ;sim anealing annealing_time = 0 200 400 600 0 200 400 600 annealing_temp = 310 323 300 310 310 323 300 310 . '(Sorry if it feels like a premature question.. But I'm a beginner ) Thanks -- ------------Virus
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists