[gmx-users] LINCS dependence

Justin A. Lemkul jalemkul at vt.edu
Tue Sep 29 22:17:09 CEST 2009



sunny mishra wrote:
> Hi,
> 
> I have a quick question. My system exploded when I tried to run the 
> simulation and it gives me the LINCS warning. I am using MARTINI 
> forcefield and finally I get segmentation fault. I don't know that what 
> are the factors do i need to change to get rid of the LINCS warning. 
> Please let me know. I also tried changing the large Van Der Waal 
> distance but it doesn't work either. Do you have any idea?
> 

General answer: your system is unstable.  Changing cutoffs haphazardly is a 
recipe for failure; these values are often intimately linked to the validity of 
the force field.  You will probably have to provide more information on what you 
are doing (system description, as well as your .mdp file).  Now that the mailing 
list search is functioning again (officially), you should be able to search the 
list archive.  LINCS errors are posted weekly, if not daily sometimes!

-Justin

> Sunny
> 
> 
> ------------------------------------------------------------------------
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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