Dear Tsjerk we have checked it., but of no use it giving some error., for your kind information, this "trjconv_mpi" command works for a protein with a drug molecule, a protein moleclue, a dimer, etc..
but it gives out error only for a dimer with a drug complex., its really a mystery., if i am making error in preperation also gromacs should give error while executing, but it does not. any suggestions. Thanks Parthi & Sundar ----------------------------------------------------------------- > Message: 3 > Date: Wed, 27 Aug 2008 09:53:02 +0200 > From: "Tsjerk Wassenaar" <[EMAIL PROTECTED]> > Subject: Re: [gmx-users] trjconv error > To: "Discussion list for GROMACS users" <gmx-users@gromacs.org> > Message-ID: > <[EMAIL PROTECTED]> > Content-Type: text/plain; charset=ISO-8859-1 > > Hi Parthiban and Sundar, > > Did you check the .trr file with gmxcheck? > > By the way, is this still that same (faulty) trjconv of these > sysadmins of yours who compiled it with gcc 4.x? > > Cheers, > > Tsjerk > > > On Wed, Aug 27, 2008 at 8:36 AM, <[EMAIL PROTECTED]> wrote: >> hi all >> >> i can able to get .trr file after running md for 10 hrs >> but i cannot able to get the .trr to .xtc file which gives out the >> following error. can anyone guess, what type of error is this, & how to >> resolve it.. >> >> Parthiban & Sundar >> >> ------------------------------------------------------- time 3.500 >> Program trjconv_mpi, VERSION 3.3.1 >> Source code file: trnio.c, line: 66 >> >> File input/output error: >> Can not determine precision of trn file >> ------------------------------------------------------- >> _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
