[gmx-users] spider toxin tutorial problem

Justin A. Lemkul jalemkul at vt.edu
Mon Jul 13 02:47:55 CEST 2009



mohit kumar wrote:
> im trying this spider toxin tutorial as beginner ....the mdrun command 
> after energy minimization have *-c fws_b4pr.pdb(i make .gro)* and then 
> on page  no 9 the grompp command for the postion restrained uses *-c 
> fws_b4pr.gro* and when i run it show:
> Program grompp, VERSION 4.0.2
> Source code file: futil.c, line: 330
> 
> File input/output error:
> fws_b4pr.gro
> ------------------------------
> -------------------------
> 
> "Hey Man You Know, I'm Really OK" (Offspring)
> what may be the reason for this..im really confused!!!
> 

Probably a typo or you lack read/write permissions in the directory.  Otherwise, 
how did you "make .gro?"  Did you use editconf, or did you just rename the file?

-Justin

> 
> -- 
> MOHIT KUMAR
> Molecular Biochemistry & Biophysics
> Graduate Student
> Illinois Institute of Technology
> Chicago,IL, USA
> 
> 
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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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