Hi all,
I have installed gromacs 5.0.4 in a parallel cluster. While I was
serching for gmx convert-tpr tool to extend my simulation that has been run
previously upto 15 ns (I want to continue the simulation upto 100 ns).
According to gromacs documentation tpbconv_mpi tool is removed from gromacs
5.0.xxxx version and this is replaced by gmx convert-tpr tool. But in my
bin directory there is nothing in the name of gmx convert-tpr or in
similar name, but I found tpbconv_mpi . I also tried with that tool to
extend but it is showing error .
I tried the command======================
tpbconv_mpi -s md_nvt -o md_nvt_25.tpr -extend 10000
============================================
I got ====================================
GROMACS: gmx tpbconv, VERSION 5.0.4
Executable: /opt/gromacs-5.0.4/bin/gmx_mpi
Library dir: /opt/gromacs-5.0.4/share/gromacs/top
Command line:
tpbconv_mpi -s md_nvt -o md_nvt_25.tpr -extend 10000
This tool has been removed from Gromacs 5.0. Please see
http://www.gromacs.org/Documentation/How-tos/Tool_Changes_for_5.0
for ideas how to perform the same tasks with the new tools.
=======================================================
I am confused with two contrary statements.....
(1) If tpbconv_mpi tool is removed from gromacs 5.0.X version, then how it
is present in my bin directory and also it is not working
(2) why gmx convert-tpr tool is absent in my bin directory. As all other
tools are available in my bin directory.
====================================================
Any help or suggestion is highly accepted. Thanks in advance.
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