On 10/11/13 1:34 AM, Mass wrote:
Dear Mark,
Thanks for your comments, I uninstalled my previous Gromacs version ( from
Ubuntu software centre I just removed it) . and followed the dirty and quick
installation on Gromacs website
tar xfz gromacs-4.6.3.tar.gz
cd gromacs-4.6.3
mkdir build
cd
Hi Justin,
Sorry for the mistake,
I typed in terminal
do_dssp -f bLac_orig_md2.trr -s bLac_orig_md2.tpr -sc
Secondary_Structure_analysis_original_dss.xvg -ssdump
and got the following error,
Program do_dssp, VERSION 4.6.3
Source code file: /home/mass/gromacs-4.6.3/src/gmxlib/gmxfio.c, line:
On 10/11/13 8:12 AM, Mass wrote:
Hi Justin,
Sorry for the mistake,
I typed in terminal
do_dssp -f bLac_orig_md2.trr -s bLac_orig_md2.tpr -sc
Secondary_Structure_analysis_original_dss.xvg -ssdump
and got the following error,
Program do_dssp, VERSION 4.6.3
Source code file:
Dear Gromacs user,
Can anyone tell me how to arrange for my login scripts to source gromacs
automatically? Justin just point that to me and in Gromacs website it is
written search the web for that, anyone know how to do that?
Thanks
On Saturday, October 12, 2013 1:12 AM, Mass
On 10/11/13 8:57 AM, Mass wrote:
Dear Gromacs user,
Can anyone tell me how to arrange for my login scripts to source gromacs
automatically? Justin just point that to me and in Gromacs website it is written
search the web for that, anyone know how to do that?
It depends on your shell. In
Maintaining your login scripts is a basic UNIX issue, not a GROMACS issue.
Google knows a lot more about it than anybody here ;-)
Mark
On Fri, Oct 11, 2013 at 2:57 PM, Mass masstransfer_2...@yahoo.com wrote:
Dear Gromacs user,
Can anyone tell me how to arrange for my login scripts to source
Hi,
Since the release of 4.5.5, DSSP totally changed its command-line
interface. So old GROMACS code cannot work with new DSSP. You need to get
the old version of DSSP to use with old GROMACS, or new GROMACS code to
work with either DSSP.
Mark
On Thu, Oct 10, 2013 at 1:37 PM, Mass
Dear Mark,
Thanks for your comments, I uninstalled my previous Gromacs version ( from
Ubuntu software centre I just removed it) . and followed the dirty and quick
installation on Gromacs website
tar xfz gromacs-4.6.3.tar.gz
cd gromacs-4.6.3
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON
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