Re: [gmx-users] error in running pdb2gmx command

[Mark Abraham]

On 30/06/2011 1:48 PM, rashi parihar wrote: thanx @justin..I have seen gromacs web site before posting..the solution of my problem was written in gromacs website was " the atom names are expected to match those found in the .rtp file that define the building block(s) in your structure". Now my question is that how can i see or open the .rtp file of particular force field? Yes, it's somewhere under share/top of your GROMACS installation directory - and probably pdb2gmx prints which one it is trying to use. Mark On Wed, Jun 29, 2011 at 5:24 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: rashi parihar wrote: HI all ..while running pdb2gmx command .I am getting error "Fatal error: Atom CT in residue TYR 314 was not found in rtp entry TYR with 20 atoms while sorting atoms" .what this error mean and how can I rectify this problem?plz help me. Please search the mailing list archive and Gromacs website before posting. Nearly all common errors are explained on the website or within a few seconds of searching.  For instance: http://www.gromacs.org/Documentation/Errors#Atom_X_in_residue_YYY_not_found_in_rtp_entry -Justin --  images[12]  “Many Smiles Begin Because Of Another Smile . . . ."  Regards, Rashi -- ======================================== 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 --     “Many Smiles Begin Because Of Another Smile . . . ."   Regards, Rashi

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