<html>
<head>
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 10pt;
font-family:Tahoma
}
--></style></head>
<body class='hmmessage'><div dir='ltr'>
<div>Dear Sir/Madam,</div><div><br></div><div>I have problem to read in mdcrd files.</div><div><br></div><div>I followed the procedures in the manual to </div><div><br></div><div>(1) installed VERSION 4.5.5 gromacs</div><div><br></div><div>(2) installed VMD </div><div><br></div><div>(3) in the .bashrc file, I added a line</div><div><br></div><div>export VMD_PLUGIN_PATH=/home/vmd_ied/lib/vmd/plugins/LINUX/molfile</div><div><br></div><div>(4) In the above molfile, I got all these so files:</div><div><br></div><div><div>avsplugin.so dtrplugin.so msmsplugin.so tinkerplugin.so</div><div>babelplugin.so dxplugin.so namdbinplugin.so uhbdplugin.so</div><div>basissetplugin.so edmplugin.so netcdfplugin.so vaspchgcarplugin.so</div><div>bgfplugin.so fs4plugin.so parm7plugin.so vas
poutcarplugin.so</div><div>binposplugin.so gamessplugin.so parmplugin.so vaspparchgplugin.so</div><div>biomoccaplugin.so graspplugin.so pbeqplugin.so vaspposcarplugin.so</div><div>brixplugin.so grdplugin.so pdbplugin.so vaspxdatcarplugin.so</div><div>carplugin.so gridplugin.so phiplugin.so vaspxmlplugin.so</div><div>ccp4plugin.so gromacsplugin.so pltplugin.so vtfplugin.so</div><div>corplugin.so jsplugin.so pqrplugin.so webpdbplugin.so</div><div>cpmdplugin.so lammpsplugin.so psfplugin.so xbgfplugin.so</div><div>crdplugin.so maeffplugin.so raster3dplugin.so xsfplugin.so</div><div>cubeplugin
.so mapplugin.so rst7plugin.so xyzplugin.so</div><div>dcdplugin.so mdfplugin.so situsplugin.so</div><div>dlpolyplugin.so mol2plugin.so spiderplugin.so</div><div>dsn6plugin.so moldenplugin.so stlplugin.so</div></div><div><br></div><div>(5) I tested if I could run the gromacs as follows:</div><div><br></div><div><div>/usr/local/gromacs/bin/g_covar_d -s test.pdb -f test.mdcrd -o -v</div></div><div><br></div><div>(6) However, the following error message appeared.</div><div><br></div><div><div>==================================================</div><div>Program g_covar_d, VERSION 4.5.5</div><div>Source code file: trxio.c, line: 870</div><div><br></div><div>Fatal error:</div><div>Not supported in read_first_frame: test.mdcrd</div><div>For more information and tips for troubleshooting, please check the GROMACS</div><div>website a
t http://www.gromacs.org/Documentation/Errors</div></div><div>==================================================
</div><div><br></div><div>Please kindly instruct if I have done anything wrong here. Many thanks.</div><div><br></div><div>Catherine</div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div> </div></body>
</html>