[gmx-users] how to pull both direction with constant force
Md. Imrul Reza Shishir
imrul.reza.shishir at gmail.com
Wed Jun 14 10:01:05 CEST 2017
Dear all
In pull code simulation i want pull my system with constant force pulling
in both direction.
In the below i applied a position restrain at group 1 and pull with
constant force the outher group.
but know i want apply constant force pulling in both direction. I want your
suggestion how should I change the below code.
; Pull code
pull = yes
pull_ngroups = 2
pull_ncoords = 1
pull_group1_name = Pos_B
pull_group2_name = Pos_A
pull_coord1_type = constant-force ; harmonic biasing force
pull_coord1_geometry = distance ; simple distance increase
pull_coord1_groups = 1 2
pull_coord1_dim = N N Y
pull_coord1_k = -7000 ; kJ mol^-1 nm^-1
pull_coord1_start = yes ; define initial COM distance > 0
--
*Md Imrul Reza Shishir*
Master Student
*Inha University*
*CRC for NanoCellulose Future Composites*
36 Getbeol-ro, Yeonsu-gu
Incheon 21999
South Korea
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