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?
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Apr 25 2018 - 07:30:03 PDT
