Dear Groetnis, Thank you very much for your nice suggestion. BW Fugui
At 2013-03-26 17:34:08,"Djurre de Jong-Bruinink" <djurredej...@yahoo.com> wrote: >>I used the command g_fg2cg to convert a coarse grained structure into >>corresponding fine strcture, and i found that the water molecues can be >>transformed correctly, but there is a big mess in the protien , and i could >>not get correct protein strcture, can anyone give me some suggestion? > > >g_fg2cg only generates an atomistic input structure for the actual reverse >transformation run. The atoms are placed at random position within the >CG-beads and thus the protein is supposed to be "a big mess" after this step. > >Please read >"http://md.chem.rug.nl/cgmartini/index.php/tutorial/reverse-transformation"; >for a more extensive explanation. > > >Groetnis, >Djurre > >-- >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 -- 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
