[gmx-users] resuming run
rose.rhmn93 at gmail.com
Wed Jan 10 06:06:52 CET 2018
No it's first part of my job
Sent from my iPhone
> On Jan 10, 2018, at 2:37, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> Extending simulations is covered at
> whether you can hope to reproduce a published finding depends on quite a
> few things.
>> On Tue, Jan 9, 2018 at 6:31 PM rose rahmani <rose.rhmn93 at gmail.com> wrote:
>> i'm doing umbrella sampling. When i compare the PMF with literature it's
>> similar in TREND, but peaks are not as sharp as literature( my system and
>> literature are very similar ). if i increase the simulation time(for
>> example from 4ns to 40ns), is there any possibility that i maybe see the
>> sharp peaks in my sytem too?if yes, how can i run simulation to continue
>> the run just after 4ns (to 40ns) NOT again from 0ns?
>> With regards
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