On 2/16/20 9:24 AM, shakira shukoor wrote:
I want to gradually decrease the box along xy direction in my simulation. I
m confused what does this six values in the deform options mean?
http://manual.gromacs.org/current/user-guide/mdp-options.html#non-equilibrium-md
They are the velocities at which the diagonal and off-diagonal terms
(half matrix) of the full box tensor are changed.
-Justin
On Sun, Feb 16, 2020 at 6:41 PM Justin Lemkul <jalem...@vt.edu> wrote:
On 2/16/20 1:44 AM, shakira shukoor wrote:
Hi all
Can anyone help me with the DEFORM option in Gromacs to change the box
values?
What are you trying to do and what problem are you encountering?
Please don't repeatedly post the same question. It often takes time for
people to see posts and have time to reply, especially on weekends.
-Justin
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==================================================
Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061
jalem...@vt.edu | (540) 231-3129
http://www.thelemkullab.com
==================================================
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