Hi,
You may use the mdp files from the tutorial
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/
(It has topologies for energy minimzation, nvt and npt simulations and md
simulations run).
Regards,
C.M.Vidyalakshmi
On Sun, Jun 28, 2015 at 8:19 PM, masoud aliyar
*not topologies - mdp files
On Sun, Jun 28, 2015 at 8:22 PM, Vidyalakshmi CM vidyalakshmi...@gmail.com
wrote:
Hi,
You may use the mdp files from the tutorial
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/
(It has topologies for energy minimzation, nvt
check to examine the file and perhaps get some
more information, but this sounds like something has mis-managed your file.
e.g. you didn't construct it how you think you did, or the (parallel) file
system upon which you ran mdrun is not reliable.
Mark
On Thu, Jun 25, 2015 at 3:34 PM Vidyalakshmi
