[gmx-users] grompp cannot run in version 3.2.1
Qing Zhu
qing.zhu at ttu.edu
Fri Jun 24 18:29:02 CEST 2005
Dear all,
I just installed gromacs-3.2.1 on a new machine, when I tried to make a
run input file for a dppc bilayer (dppc128.pdb and dppc.itp come from
http://moose.bio.ucalgary.ca/) I got the following error message:
WARNING 1 [file md-npt.mdp, line unknown]:
Unknown left-hand warnings in parameter file
checking input for internal consistency...
calling /usr/bin/cpp...
processing topology...
Generated 2010 of the 2211 non-bonded parameter combinations
WARNING 2 [file "dppc.itp", line 112]:
No default LJ-14 types, using zeroes
WARNING 3 [file "dppc.itp", line 113]:
No default LJ-14 types, using zeroes
WARNING 4 [file "dppc.itp", line 114]:
No default LJ-14 types, using zeroes
WARNING 5 [file "dppc.itp", line 115]:
No default LJ-14 types, using zeroes
WARNING 6 [file "dppc.itp", line 116]:
No default LJ-14 types, using zeroes
WARNING 7 [file "dppc.itp", line 117]:
No default LJ-14 types, using zeroes
WARNING 8 [file "dppc.itp", line 118]:
No default LJ-14 types, using zeroes
WARNING 9 [file "dppc.itp", line 119]:
No default LJ-14 types, using zeroes
WARNING 10 [file "dppc.itp", line 120]:
No default LJ-14 types, using zeroes
Cleaning up temporary file gromppJ8Ckjm
Fatal error: Too many warnings, grompp terminated
But when I used the same files to run grompp on the machine in which
gromacs-3.1.4 was installed, everything worked fine. Is there any bug in
this new gromacs version 3.2.1? And how can I fix this problem to make
grompp work?
Thanks and any suggestion will be helpful and appreciated.
Sincerely
Qing Zhu
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