n list for GROMACS users
Subject: Re: [gmx-users] umbrella sampling using pull codes
On 9/12/13 10:18 PM, mjyang wrote:
Dear Justin,
Thanks for your reply. I checked the content in pullx.xvg file as follows:
# GRowing Old MAkes el Chrono Sweat
#
s.org [gmx-users-boun...@gromacs.org] On Behalf
Of Justin Lemkul [jalem...@vt.edu]
Sent: Friday, September 13, 2013 10:33 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] umbrella sampling using pull codes
On 9/12/13 10:18 PM, mjyang wrote:
> Dear Justin,
>
> Thanks for yo
On 9/12/13 10:18 PM, mjyang wrote:
Dear Justin,
Thanks for your reply. I checked the content in pullx.xvg file as follows:
# GRowing Old MAkes el Chrono Sweat
#
@title "Pull COM"
@xaxis label "Time (ps)"
@yaxis label "Posit
.org] On Behalf
Of Justin Lemkul [jalem...@vt.edu]
Sent: Thursday, September 12, 2013 10:05 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] umbrella sampling using pull codes
On 9/12/13 9:55 AM, mjyang wrote:
> Dear GMX users,
>
> I'd like to perform the um
On 9/12/13 9:55 AM, mjyang wrote:
Dear GMX users,
I'd like to perform the umbrella sampling using the pull codes in gromacs.
The reaction coordinate is defined as the distance between the center of mass
(DCOM) of two domains in a protein. The following script is used:
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