[gmx-users] constraints

[Justin A. Lemkul]

Nilesh Dhumal wrote:
> Hello,
> 
> In my input file if I don't specify "constraints" then
> 
> What is default
> 
> constraints=none
> 
> constraints=all bonds
> 

See the manual, section 7.3.1 and any relevant section thereafter.  Also, read 
your mdout.mdp file.

-Justin

-- 
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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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