I got the following error while running the gromacs
*NOTE: disabling dynamic load balancing as it is only supported with
dynamics, not with integrator 'steep'.Using 16 MPI threadsUsing 4 OpenMP
threads per tMPI threadOn host localhost.localdomain 2 GPUs auto-selected
for th
Good Evening Friends,
I had some problem with my MD analysis. I want to
monitor the Ramachandran plot of some residues.
My problem let say I had a tri peptide from which we can get 4 dihedral
angles and we can only plot the ramachandran plot for the Mid residue that
is second
Good Morning Friends,
I want to run Constant pH replica exchange MD
for my peptides. Is that possible with GROMACS?
please let me know. Its urgent.
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Thanks for your information.
On Wed, 18 Dec 2019 at 12:30, Groenhof, Gerrit wrote:
> No, but this is possible in Charmm and in Amber.
> Best,
> Gerrit
>
>
>
> > Date: Wed, 18 Dec 2019 11:52:15 +0530
> > From: Muneeswaran S
> > To: gmx-us...@gromacs.org