I used -fit or boxcenter or trans or .. any other thing which I though to solve
my problem, but did not work. Would you give me a hint pleaaasssee?
Thanks a lot.
Sincerely,
Shima
On Wednesday, October 16, 2013 4:05 PM, Justin Lemkul jalem...@vt.edu wrote:
On 10/16/13 8:29 AM, Shima
On 10/17/13 2:09 PM, Shima Arasteh wrote:
I used -fit or boxcenter or trans or .. any other thing which I though to solve
my problem, but did not work. Would you give me a hint pleaaasssee?
trjconv -center
or
trjconv -fit transxy
-Justin
--
Dear gmx users,
I have a system consist of a lipid bilayer and a peptide. As the initial
configuration, the peptide is located in center of the x-y plane above lipid
bilayer. After running MD, the peptide shows interactions with the polar
groups. It's ok, but the peptide is near one edge of
On 10/16/13 8:29 AM, Shima Arasteh wrote:
Dear gmx users,
I have a system consist of a lipid bilayer and a peptide. As the initial
configuration, the peptide is located in center of the x-y plane above lipid
bilayer. After running MD, the peptide shows interactions with the polar
groups.
Hi.
You should use the following command to center your protein:
trjconv -f trajectory.xtc -o corrected_trajectory.xtc -pbc mol -center -s
trajectory.tpr
Don't forget to replace trajectory with corresponding filenames
2013/10/16 Shima Arasteh shima_arasteh2...@yahoo.com
Dear gmx users,
I
5 matches
Mail list logo