[gmx-users] (no subject)
pbuscemi at q.com
pbuscemi at q.com
Sat Jul 21 23:57:54 CEST 2018
Have you tried the "insert-chemicals-after-md" command ?
PB
> On Jul 11, 2018, at 4:50 AM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
>
> Hi,
>
> Are you trying to observe something about the transition, or merely the
> different end points?
>
> Mark
>
>> On Tue, Jul 10, 2018 at 4:12 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.
>> -Soham
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