vidhya sankar wrote:
Dear justin thank for your previous reply
I have Adjusted My box vectors along only one pulling dimension.
I am pullling for distance of 5 nm from the center of box along Z axis
i am using the following option in editconf_d my command is as follows
./editconf_d -f protein.gro -o newboxprotein.gro -center 3 2 10
-box 6 4 20
I am using pull_geomentry = Distance
Looks fine to me. For methodological details, please see the SMD/umbrella
sampling tutorial.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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