Dear all
I am installing gromacs -4.6.3 on cygwin with following commands
tar -xvzf gramcs-4.6.3.tar.gz
cd gromacs-4.6.3
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_DOUBLE=on
It runs fine and write file in build directory.
when I run make command it gives following error.
[ 15%]
Dear Users,
I am trying to run Protein-Ligand MD simulations using GROMACS. However, i
seem to be lost in building correct ligand topologies. I came across an
article explaining that the above mentioned softwares can be used to build
a ligand topology file that can act as a guide in allocating
... and probably the use of grompp -maxwarn 5 is hiding problems that
you should be fixing first!
Mark
On Sun, Sep 8, 2013 at 1:03 AM, Justin Lemkul jalem...@vt.edu wrote:
On 9/7/13 6:55 PM, Rama Krishna Koppisetti wrote:
Hi Justin,
If you are willing to see my complex pdb file or complex
Dear all,
Using g_polystat with option -v, I obtain the output file polyvec.xvg which
contains 10 columns.
Are columns 2-10 the components of the gyration tensor calculated according
to this definition http://en.wikipedia.org/wiki/Gyration_tensor ?
If this is correct, are the components
Did you get chance to take look at the g_current?
why it is -inf (infinity) at the end with -mc option (mc.xvg).
-Original Message-
From: gmx-users-boun...@gromacs.org [mailto:gmx-users-
boun...@gromacs.org] On Behalf Of Nilesh Dhumal
Sent: Tuesday, July 09, 2013 5:06 AM
To:
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