[gmx-users] (no subject)
soham9038 at gmail.com
Fri Jul 20 16:11:42 CEST 2018
Sorry for late reply of your queries. 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, 7:42 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.
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