Hi, Actually, I believe that only one force field (ffgmx) currently has an n2t file, at least as recently as 3.3.1. I would try running a find or locate command to see if you even have the n2t files to begin with. I also believe I read earlier on the mailing list that the CVS branch has some improvements to the x2top program which may be helpful. If not you may need to make one for your molecule.
,Tom On 3/26/07, Mark Abraham <[EMAIL PROTECTED]> wrote:
George Abadir wrote: > Hi, > I am using Tubegen to generate a PDB file for carbon nanotubes. When > I use the "x2top" command I get an error :"Library file ffG43a1.n2t not > found in current dir nor in default directories". The same error is > repeated with every other force field. Where can I find this file or how > can I get around this problem? Your help is much appreciated. I think this means you haven't set up your environment. In the gromacs binary directory there's a file GMXRC that you need to "source" to set up various variables to help gromacs find things. Mark _______________________________________________ gmx-users mailing list [email protected] http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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