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