Thank you David I will try now with random seed number and see it the results are same or not
________________________________
From: Daniel Roe <daniel.r.roe.gmail.com>
Sent: Wednesday, November 16, 2016 4:54:11 AM
To: AMBER Mailing List
Subject: Re: [AMBER] HMassRepartition
Hi,
Your results are not statistically significant yet. You may find that if
you run your non-repartitioned system again with a different random seed it
will open (or vice versa). You should at least repeat each simulation a few
times to get more statistics.
-Dan
On Wed, Nov 16, 2016 at 8:39 AM Thakur, Abhishek <axt651.miami.edu> wrote:
> Hi,
>
> I have carried out two different GB/SA simulation, igb=5 and all the
> parameters same
>
> 1. With HMassRepartition with dt=0.004 and in 20ns I found that my dimer
> opened.
>
> 2.Simple Gb/SA with dt=0.001 and in 20ns I have found my dimer has not
> moved at all.
>
>
> I cannot get the reason behind this, as both have same duration of
> simulation. Can this be possible or I have done some mistake>
>
>
>
> Thanking you,
>
> Abhishek
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DgICAg&c=y2w-uYmhgFWijp_IQN0DhA&r=0Hah93XWYYBgmROOVcaccg&m=_PiFq_uprPriQE8IqDsmKFJNzihWD7Uw-ruE6CG8E4c&s=6IEa9UNMxzZxNJqL1_CPYb38WN0g9AjaMxyaj5qsWSk&e=
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DgICAg&c=y2w-uYmhgFWijp_IQN0DhA&r=0Hah93XWYYBgmROOVcaccg&m=_PiFq_uprPriQE8IqDsmKFJNzihWD7Uw-ruE6CG8E4c&s=6IEa9UNMxzZxNJqL1_CPYb38WN0g9AjaMxyaj5qsWSk&e=
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 16 2016 - 08:00:06 PST
