] hydrogen on N (OPLS_241), zero sigma and epsilon
st wrote:
Hi There,
I am very thankful to your help always.
I am working with a system containing a carbon nanotube, a poly ether
(charge -1), and a Na+ in spc water.
I use OPLSAA for the poly ether, water and Na+.
The poly ether is connected via
Hi There,
I am very thankful to your help always.
I am working with a system containing a carbon nanotube, a poly ether
(charge -1), and a Na+ in spc water.
I use OPLSAA for the poly ether, water and Na+.
The poly ether is connected via a peptide bond (-CO-NH-), and I use OPLS_241
for the
new steps
st wrote:
Hi,
I run a two-molecule system with mdrun_d in a water box (~1 water
molecules.)
The program looks running properly (no errors nor warnnings)
However the program seems stop outputting files (because the output file
size stop increases) after about 5min.
The mdrun_d
Hi There,
I have some problems installing gromacs on the linux server.
fftw installed with no error, but when I install gromacs,
I got the following error:
*
/bin/sh ../../libtool --tag=CC --mode=link cc -O3 -fomit-frame-pointer
-finline-functions
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