[gmx-users] (no subject)
soham9038 at gmail.com
Fri Jul 20 16:13:33 CEST 2018
Frankly speaking I am planning to run a REMD for 50ns with protein urea and
water in it, then after 50ns I want to add a protecting osmolyte into the
system and want to continue it for another 50ns REMD so that I can have the
effect of the protecting osmolyte before and after adding it into the
system. My question is, what I have planned is at all possible? How do I
continue the simulation of 50ns for another 50ns with a protecting osmolyte
in it. Is there any references or commnad lines or protocols to execute
this type of simulation which is exclusively dedicated to the effect of a
chemicals in the system.
Thanks in advance.
On Tue, 10 Jul 2018, 4:51 pm Soham Sarkar, <soham9038 at gmail.com> wrote:
> Dear all,
> I am planning to do a simulation where after 50ns of simulation I want to
> add some other chemicals in the system and continue it for another 50ns, so
> that I can have the effect of that chemicals exclusively before and after
> adding it to the system.Is it at all possible? If yes please tell me the
> protocol/ commands or give me some references where this type of simulation
> is used. Thanks in advance.
More information about the gromacs.org_gmx-users