[gmx-users] umbrella simulation PMF curve
sarathchandradantu at gmail.com
Mon Feb 22 07:00:56 CET 2016
Your umbrellas are not well spaced. There is a gap at 1.2, 2.25 and around
4.4 which is affecting your pmf profile.
Add more simulations at those points and re-check again.
On 22 February 2016 at 11:09, Nikhil Maroli <scinikhil at gmail.com> wrote:
> Hello ,
> can anyone tell me why im getting profile like this after umbrella
> im attaching both hist.xvg and profile.xvg plot
> histo plot
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