Thank you Justin !
-Priyanka
On Thu, Jul 16, 2015 at 5:21 PM, Justin Lemkul jalem...@vt.edu wrote:
On 7/16/15 7:35 AM, Priyanka Patel wrote:
Hello Felipe,
Thanks for quick response,
I have change my nvt.mdp file according to your instruction, but still
getting the following error;
Hi,
The error is rather clear. There are atoms that are not coupled to any
thermostat. In principle, you can set tc-grps to System and only give
one tau and reference temperature and it will work. If you need a more
elaborated scheme, them you can supply group definitions (if not
available
Dear all,
I am doing simulation of DNA nano-structure using Gromacs (VERSION 4.6.5)
by applying CHARMM26 force field and TIP4P water model. The energy
minimization step is working fine but i am facing problem during
equilibration step due to wrong *nvt.mdp* file.
Can you please guide me, which
Hello Felipe,
Thanks for quick response,
I have change my nvt.mdp file according to your instruction, but still
getting the following error;
Fatal error:
Invalid T coupling input: 1 groups, 2 ref-t values and 2 tau-t values
Priyanka
On Thu, Jul 16, 2015 at 4:15 PM, Felipe Merino
On 7/16/15 7:35 AM, Priyanka Patel wrote:
Hello Felipe,
Thanks for quick response,
I have change my nvt.mdp file according to your instruction, but still
getting the following error;
Fatal error:
Invalid T coupling input: 1 groups, 2 ref-t values and 2 tau-t values
Again, the error is
