a good idea.
Mark
On Jan 9, 2015 2:27 PM, Shankar Prasad Kanaujia spkanau...@gmail.com
wrote:
Dear Users,
I am getting a unique problem while installing gromacs. I am able to
install any version of gromacs in the default path (i.e.
/usr/local/gromacs). However, if I specify any
available through Google search. I have tried
with several versions of cmake both as root as well as user.
I would really appreciate if any one can provide some hint to solve this
problem.
Regards,
Shankar
--
Shankar Prasad Kanaujia, Ph.D.
Assistant Professor
Department of Biotechnology
Indian
Dear users,
I had simulated one protein with metal Zn (Zinc) bound using Gromacs
version 4.5.5 with OPLSS-AA force field. Now, I am trying to rerun to
calculate the energy between two groups with Gromacs version 5.0.2. I am
getting the following error:
Atomtype ZN2+ not found.
Can anybody help
Dear Justin,
Thanks for the details. As you mentioned, I did not find any force field
which contains parameters for all metals.
Regards,
Shankar
On Fri, Dec 19, 2014 at 5:47 PM, Justin Lemkul jalem...@vt.edu wrote:
On 12/19/14 2:59 AM, Shankar Prasad Kanaujia wrote:
Dear users,
I had
