[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!


> Sunny
> ------------------------------------------------------------------------
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list