Dear Gromacs Users, The problem actually is mine is a hexamer, ARBSCT (chains). I want RST to be merged into a single molecular topology. I am either able to merge RS or ST or RT but not the trimer as such.
I am able to do with -merge in the previous (ver 4.0.7 of ) pdb2gmx. Best, nahren --- On Thu, 9/2/10, Justin A. Lemkul <jalem...@vt.edu> wrote: From: Justin A. Lemkul <jalem...@vt.edu> Subject: Re: [gmx-users] intermolecular distance restrains To: "Discussion list for GROMACS users" <gmx-users@gromacs.org> Date: Thursday, September 2, 2010, 8:09 PM nahren manuel wrote: > Dear Gromacs Users, > > I am presently using gromacs4.5 beta(since I want implicit solvent). I No need to use a beta version, the official 4.5 has been released. > wish to apply intermolecular distance restraints. > To my surprise there is no merge option in pdb2gmx (although pdb2gnx -h, says > it has). So is there a new alternative to create intermolecular distance > restrains. > Use pdb2gmx -chainsep. -Justin > Best, > nahren > > -- ======================================== 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/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/mailing_lists/users.php
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