[gmx-users] Re: 1-4 cut off error during EM

[Justin A. Lemkul]

bharat gupta wrote:
> Hi,
> 
> I generated the topology and parameter file for phosphotyrosine usin 
> Swiss param and during minimization, it's giving 1,4 cut off error. I 
> found that the cut off for 2 paris of atom is more than the default 
> value. So, in that what shall I do??
> 

http://www.gromacs.org/Documentation/Errors#1-4_interaction_not_within_cut-off
http://www.gromacs.org/Documentation/Terminology/Blowing_Up

Note that this error is incredibly common and you can probably find thousands of 
similar posts in the list archive (hint: search the archive).  Most errors are 
described in the "Errors" page above (hint: there's lots of information on the 
Gromacs site, so always check there whenever you have a problem).

-Justin

> -- 
> Bharat
> Ph.D. Candidate
> Room No. : 7202A, 2nd Floor
> Biomolecular Engineering Laboratory
> Division of Chemical Engineering and Polymer Science
> Pusan National University
> Busan -609735
> South Korea
> Lab phone no. - +82-51-510-3680, +82-51-583-8343
> Mobile no. - 010-5818-3680
> E-mail : monu46010 at yahoo.com <mailto:monu46010 at yahoo.com>
> 

-- 
========================================

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

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