[gmx-users] combining multiple MD proteins,
daniel madulu shadrack
dmssjut at gmail.com
Wed Nov 7 20:47:06 CET 2018
Dear, I want to combine proteins to merge into single pdb but I get this
error below.
Command line:
gmx trjcat -f 10ns.pdb 15ns.pdb 40ns.pdb 60ns.pdb 90ns.pdb -o all.pdb
Reading frame 0 time 10000.000 '', 3420 atoms
Last frame 0 time 10000.000
Reading frame 0 time 15000.000 '', 3420 atoms
Last frame 0 time 15000.000
Reading frame 0 time 40000.000 '', 3420 atoms
Last frame 0 time 40000.000
Reading frame 0 time 60000.000 '', 3420 atoms
Last frame 0 time 60000.000
Reading frame 0 time 90000.000 '', 3420 atoms
Last frame 0 time 90000.000
Summary of files and start times used:
File Start time Time step
---------------------------------------------------------
10ns.pdb 10000.000 ps 0.000 ps
15ns.pdb 15000.000 ps 0.000 ps
40ns.pdb 40000.000 ps 0.000 ps
60ns.pdb 60000.000 ps 0.000 ps
90ns.pdb 90000.000 ps 0.000 ps
Reading frame 0 time 10000.000
Continue writing frames from 10ns.pdb t=10000 ps, frame=0
-------------------------------------------------------
Program gmx trjcat, VERSION 5.1.4
Source code file:
/home/daniel/installed/gromacs-5.1.4/src/gromacs/fileio/trxio.c, line: 557
Fatal error:
Can not write a pdb file without atom names
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
--
*Regards, *
Daniel Madulu Shadrack., (M.Sc. Chem).
PhD Research Scholar
(Nanomedicine & Comp. Aided Drug Design)
dmssjut at gmail.com
-
*FOR GOD LET US DO MUCH, **QUICK AND **WELL*..
*St. Gaspar Del Bufalo*
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