bars will be as wild as the values in the PMF plot.
-Justin
Best,
nahren
*From:* Justin A. Lemkul
*To:* nahren manuel ; Discussion list for GROMACS
users
*Sent:* Friday, November 4, 2011 7:44 PM
*Subject:* Re: [gmx-
, approx. 1 ns runs in 5 windows)
Best,
nahren
From: Justin A. Lemkul
To: nahren manuel ; Discussion list for GROMACS users
Sent: Friday, November 4, 2011 7:44 PM
Subject: Re: [gmx-users] PMF when pulling in -Z direction
nahren manuel wrote:
> Dear Grom
nahren manuel wrote:
Dear Gromacs Users,
I am trying to study ligand unbinding adopting Umbrella sampling (using
Gmx 4.5.3). during my initial pull to generate configurations for
umbrella windows I have pulled in the -Z direction,
@ s0 legend "0 Z"
@ s1 legend "1 dZ"
0.7.37361-0
Dear Gromacs Users,
I am trying to study ligand unbinding adopting Umbrella sampling (using Gmx
4.5.3). during my initial pull to generate configurations for umbrella windows
I have pulled in the -Z direction,
@ s0 legend "0 Z"
@ s1 legend "1 dZ"
0. 7.37361 -0.33625
0.0200 7.37377
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