<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><br>Dear Gromacs Users,<br><br>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.<br><br>I am able to do with -merge in the previous (ver 4.0.7 of ) pdb2gmx.<br><br>Best,<br>nahren<br><br>--- On <b>Thu, 9/2/10, Justin A. Lemkul <i><jalemkul@vt.edu></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: Justin A. Lemkul <jalemkul@vt.edu><br>Subject: Re: [gmx-users] intermolecular distance restrains<br>To: "Discussion list for GROMACS users" <gmx-users@gromacs.org><br>Date: Thursday, September 2, 2010, 8:09 PM<br><br><div class="plainMail"><br><br>nahren manuel wrote:<br>> Dear Gromacs Users,<br>> <br>> I am presently using
gromacs4.5 beta(since I want implicit solvent). I <br><br>No need to use a beta version, the official 4.5 has been released.<br><br>> wish to apply intermolecular distance restraints.<br>> 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.<br>> <br><br>Use pdb2gmx -chainsep.<br><br>-Justin<br><br>> Best,<br>> nahren<br>> <br>> <br><br>-- ========================================<br><br>Justin A. Lemkul<br>Ph.D. Candidate<br>ICTAS Doctoral Scholar<br>MILES-IGERT Trainee<br>Department of Biochemistry<br>Virginia Tech<br>Blacksburg, VA<br>jalemkul[at]vt.edu | (540) 231-9080<br><a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br><br>========================================<br>-- gmx-users mailing list <a
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