[gmx-users] the position_restraints

Justin A. Lemkul jalemkul at vt.edu
Wed Apr 15 00:06:31 CEST 2009



He, Yang wrote:
> HI all users,
> 
> I want to define the position_restraints in the itp file but when I run it, it always show that
> 
> Segmentation fault (core dumped)
> 

You'll have to do better than "run it" - what do you mean, grompp? mdrun?

As written, your position restraints look OK, so I don't think the problem is 
related to that section, necessarily.  How have you deduced that this is where 
the problem lies?

Are you getting any other messages from (grompp? mdrun?) before the seg fault?

-Justin

> and I will list the part below:
> 
>  [position_restraints]
> ;ai funct fc
>   1    1    10000   10000   10000
>   2    1    10000   10000   10000
>   3    1    10000   10000   10000
>   4    1    10000   10000   10000
>   5    1    10000   10000   10000
>   6    1    10000   10000   10000
>   7    1    10000   10000   10000
>   8    1    10000   10000   10000
>   9    1    10000   10000   10000
>  10    1    10000   10000   10000
>  11    1    10000   10000   10000
>  12    1    10000   10000   10000
>  13    1    10000   10000   10000
>  14    1    10000   10000   10000
>  15    1    10000   10000   10000
>  16    1    10000   10000   10000
>  17    1    10000   10000   10000
>  18    1    10000   10000   10000
>  19    1    10000   10000   10000
>  20    1    10000   10000   10000
>  41    1    10000   10000   10000
>  42    1    10000   10000   10000
>  43    1    10000   10000   10000
>  44    1    10000   10000   10000
>  45    1    10000   10000   10000
>  46    1    10000   10000   10000
>  47    1    10000   10000   10000
>  48    1    10000   10000   10000
>  49    1    10000   10000   10000
>  50    1    10000   10000   10000
>  51    1    10000   10000   10000
>  52    1    10000   10000   10000
>  53    1    10000   10000   10000
>  54    1    10000   10000   10000
>  55    1    10000   10000   10000
>  56    1    10000   10000   10000
>  57    1    10000   10000   10000
>  58    1    10000   10000   10000
>  59    1    10000   10000   10000
>  60    1    10000   10000   10000
> 
> Can anyone of you tell me what is the problem for that?  Thank you very much in advance.
> 
> Yang
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.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
Graduate Research Assistant
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

========================================



More information about the gromacs.org_gmx-users mailing list