[gmx-users] running energy minimization error

xiaojiong xiaojiong at zju.edu.cn
Fri Feb 17 14:41:59 CET 2012


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
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