We have a heme for which PRODRG does not generate the topology file, as Fe
atom is not supported.
Is there an alternative for generating topology file for Heme molecule?
Thanks and Regards,
Raghu
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Hi,
I have been reading this (
http://manual.gromacs.org/documentation/5.1/user-guide/mdrun-performance.html)
and trying to run mdrun in a GPU based system. Unfortunately, I don't
understand what the error is and how to troubleshoot it. Copy pasted below
is the output I got for gmx mdrun.
I tried
Hi,
I was able to troubleshoot it and install Gromacs successfully, by pointing
the installation dir of regression tests.
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_PATH=/home/
bi/Desktop/gromacs-5.1.2/build/regressiontests-5.1.2
Thanks
On Wed, Feb 10, 2016 at 10:28 AM, Ragothaman
Hi Everyone,
I am trying to install the latest version of Gromacs. Before, I mention the
real question I have to let you know that our system admin has diabled FTP
downloads. (Don't ask me why, but all FTP usages in the campus are banned)
So, thanks to a Chrome extension I was able to download the