Dear Sir/Madam,
I have problem to read in mdcrd files.
I followed the procedures in the manual to
(1) installed VERSION 4.5.5 gromacs
(2) installed VMD
(3) in the .bashrc file, I added a line
export VMD_PLUGIN_PATH=/home/vmd_ied/lib/vmd/plugins/LINUX/molfile
(4) In the above molfile, I got all these so files:
avsplugin.so dtrplugin.so msmsplugin.so
tinkerplugin.sobabelplugin.so dxplugin.so namdbinplugin.so
uhbdplugin.sobasissetplugin.so edmplugin.so netcdfplugin.so
vaspchgcarplugin.sobgfplugin.so fs4plugin.so parm7plugin.so
vaspoutcarplugin.sobinposplugin.so gamessplugin.so parmplugin.so
vaspparchgplugin.sobiomoccaplugin.so graspplugin.so pbeqplugin.so
vaspposcarplugin.sobrixplugin.so grdplugin.so pdbplugin.so
vaspxdatcarplugin.socarplugin.so gridplugin.so phiplugin.so
vaspxmlplugin.soccp4plugin.so gromacsplugin.so pltplugin.so
vtfplugin.socorplugin.so jsplugin.so pqrplugin.so
webpdbplugin.socpmdplugin.so lammpsplugin.so psfplugin.so
xbgfplugin.socrdplugin.so maeffplugin.so raster3dplugin.so
xsfplugin.socubeplugin.so mapplugin.so rst7plugin.so
xyzplugin.sodcdplugin.so mdfplugin.so situsplugin.sodlpolyp
lugin.so mol2plugin.so spiderplugin.sodsn6plugin.so
moldenplugin.so stlplugin.so
(5) I tested if I could run the gromacs as follows:
/usr/local/gromacs/bin/g_covar_d -s test.pdb -f test.mdcrd -o -v
(6) However, the following error message appeared.
==================================================Program g_covar_d, VERSION
4.5.5Source code file: trxio.c, line: 870
Fatal error:Not supported in read_first_frame: test.mdcrdFor more information
and tips for troubleshooting, please check the GROMACSwebsite at
http://www.gromacs.org/Documentation/Errors==================================================
Please kindly instruct if I have done anything wrong here. Many thanks.
Catherine
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