Abraham
Sent: Sunday, February 24, 2019 6:55 AM
To: gmx-us...@gromacs.org
Cc: gromacs.org_gmx-users@maillist.sys.kth.se
Subject: Re: [gmx-users] Pull code errors
Hi,
There have been some improvements to the pull code, but I don't know
offhand whether they apply here. Do consult the 2019 re
Hi,
There have been some improvements to the pull code, but I don't know
offhand whether they apply here. Do consult the 2019 release notes for
clues.
Mark
On Sat., 23 Feb. 2019, 06:11 Ayesha Fatima,
wrote:
> Dear All,
> I am using Gromax 2019 and running an umbrella sampling for two proteins.
Dear All,
I am using Gromax 2019 and running an umbrella sampling for two proteins.
It is a simple pulling simulation. It is giving me the following error
ERROR 1 [file md_pull.mdp]:
When the maximum distance from a pull group reference atom to other atoms
in the group is larger than 0.5 time
