On 3/21/17 7:08 PM, liming_52 wrote:
The position of the ligand was obtained using autodock vina. The gro file and
ITP file were obtained from the PRODRG server
(http://davapc1.bioch.dundee.ac.uk/prodrg). Anyway, I added the ions with 0.154
M NaCl. Did these effect my md?
PRODRG topologie
The position of the ligand was obtained using autodock vina. The gro file and
ITP file were obtained from the PRODRG server
(http://davapc1.bioch.dundee.ac.uk/prodrg). Anyway, I added the ions with 0.154
M NaCl. Did these effect my md?
--
With my best wishes,
Ming Li, PhD
Chinese Academy of
On 3/21/17 6:51 PM, liming_52 wrote:
Dear Gromacs users,I am trying to run a md using 4n6p.cif obtained from PDB
with a ligand. I converted the file into pdb format using DS4.1, and got the
file named lactoferrin.pdb. When I directly run
the command "gmx mdrun -v -deffnm em", the program runs
Dear Gromacs users,I am trying to run a md using 4n6p.cif obtained from PDB
with a ligand. I converted the file into pdb format using DS4.1, and got the
file named lactoferrin.pdb. When I directly run
the command "gmx mdrun -v -deffnm em", the program runs and produces the
information as follows
