[gmx-users] running energy minimization error

[Justin A. Lemkul]

xiaojiong wrote:
> Dear,
>     I have finished the command 
> "perl inflategro.pl system.gro 4 DPPC 14 system_inflated.gro 5 area.dat",the 
> I want to run energy minimization.I submit the command "grompp -f 
> minim.mdp -c system_inflated.gro -p topol.top -o em.tpr".The error like this
>  Back Off!Ijust backed up mdout.mdp to ./#mdout.mdp.4#
> Generated 813 of the 2346 non-bonded parameter combinations
> WARING 1 [file drg.itp,line1]:
> Too few parameters on line (source file toppush.c, line 1501)
> 
> WARING 2 [file drg.itp,line2]:
> Too few parameters on line (source file toppush.c, line 1501)
> 
> WARING 3 [file drg.itp,line17]:
> Too few parameters on line (source file toppush.c, line 1501)
> 
> ERROR 1 [file drg.itp,line 21]:
> Expected a molecule type name and nrexcl
> 
> Program grompp, VERSION 4.5.3
> Source code file:toppush.c, line:1187
> 
> Fatal error:
> Atomtype \par not found
> 

Your .itp file does not conform to the required format.  See Chapter 5 of the 
manual.

-Justin

-- 
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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

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