Re: [AMBER] simulation with duration of 5000 Ps

From: Gustaf Olsson <gustaf.olsson.lnu.se>
Date: Wed, 25 Apr 2018 14:20:29 +0000

Not sure I understand the question though I have colleagues that are performing all-atom simulations at a micro-second level and I performed simulations running for 100 ns (100 000 ps) and up without issues (except for growing disk/storage memory consumption)

// Gustaf

> On 25 Apr 2018, at 15:52, Edjan Silva <edjan.silva.esenfar.ufal.br> wrote:
>
> Hello. Carry out a molecular dynamics simulation to verify the interaction
> mode of a small molecule with cyclodextrins. I made a simulation with
> duration of 5000 Ps. Is there a problem in performing long simulations?
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Received on Wed Apr 25 2018 - 07:30:03 PDT
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