DeChang Li wrote:
Dear all,
Does the following three options do the same things in the pull code of
Gromacs 4.0:
No, but without further context, it's hard to tell you what each set is doing.
Most notably, the choice of *either* pull_dim or pull_vec1 will be motivated by
the pull_geometry setting, but both pull_dim and pull_vec1 are not
simultaneously used.
-Justin
1. pull_dim = Y Y Y
pull_vec1 = 1 0 0
**************************
2. pull_dim = Y N N
pull_vec1 = 1 0 0
**************************
3. pull_dim = Y N N
pull_vec1 = 1 0.5 0.5
--
========================================
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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