Dear gmx.
I run 100ns simulation of my protein with ligand. After completing the 100ns,
the output doesnt give .xtc and .tpr files of final output. i could find .cpt
.edr .gro .tpr files of final output.
Please guide me how can i get the final output of these files ? Thanks
--
Gromacs Users
On 6/21/15 9:07 AM, V.V.Chaban wrote:
Actually, any existing field, since all of them -- to this or that
extent -- were cteated under cluster-in-vacuum' approach.
While most biomolecular force fields have their origins in gas-phase QM, most
ultimately target condensed-phase properties. Add
Actually, any existing field, since all of them -- to this or that
extent -- were cteated under cluster-in-vacuum' approach.
On Sun, Jun 21, 2015 at 3:02 AM, Swapnil Kate
wrote:
> Hello all,
> Can any one please tell me which force fields are used for accurate
> prediction of gas phases on org
would you try --enable-shared flag while compiling fftw then followed by
gromacs compile
On Sun, Jun 21, 2015 at 4:12 AM, mah maz wrote:
> Dear all,
> I am trying to install a new version of gromacs(rather than rpm) on my
> system. I apply these commands:(in root while im superuser)
> tar -xzvf
Dear all,
I am trying to install a new version of gromacs(rather than rpm) on my
system. I apply these commands:(in root while im superuser)
tar -xzvf fftw-3.3.4.tar.gz
cd fftw-3.3.4
./configure --enable-float --enable-threads
make
make install
and for gromacs:
tar -xzvf gromacs-4.5.5.tar.gz
cd g
