Lemkul, thanks At 2011-05-25 18:56:59，"Justin A. Lemkul" <jalem...@vt.edu> wrote: > > >牛继南 wrote: >> Hi，gmx users: >> Recently, I have a question——what's the philosophy of -ci option in >> "genbox"? >> My understanding is that a molecule is randomly generated in the hole at >> first, then a new location around the molecule is generated according >> to a random seed , then gmx checks whether solve >> or solute molecules will overlap, and so on. What is correct? >> > >A random location is generated, and the position is accepted if there is no >overlap with nearby molecules. See the insert_mols() function in gmx_genbox.c. > >-Justin > >> -- >> Sincerely yours >> Dr Ji-Nan Niu >> School of Materials Science and Engineering. >> China University of Mining and Technology. >> Jiangsu Province, XuZhou 221116 >> P. R. China >> _____________________________________________________ >> Email: njn0...@cumt.edu.cn <mailto:njn0...@cumt.edu.cn> Phone: >> +86-13852039305 >> >> >> > >-- >======================================== > >Justin A. Lemkul >Ph.D. Candidate >ICTAS Doctoral Scholar >MILES-IGERT Trainee >Department of Biochemistry >Virginia Tech >Blacksburg, VA >jalemkul[at]vt.edu | (540) 231-9080 >http://www.bevanlab.biochem.vt.edu/Pages/Personal/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
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