[gmx-users] topolbuild1_3:Illegal characters for size information line in mol2 file.

Tom dnaafm at gmail.com
Thu Jan 26 06:50:09 CET 2012


Dear Bruce and Gromacs Users,

i am a new user of topolbuild.
I am trying to use topolbuild to build *top file, but there is a fatal
error report:
-----------------------------------
./topolbuild -n lipid -dir
/home/machine/TOM/Study/topbuild/topolbuild1_3/topolbuild1_3/dat/gromacs
-ff oplsaa
*Fatal error.
Source code file: readmol2.c, line: 347
Illegal characters for size information line in mol2 file.
*------------------------------------

this is my input lipid.mol2 file
------------------------------
# lipidA
# Created by GaussView 4.1.2
#
#
#
@<TRIPOS>MOLECULE
Molecule Name
295 296
SMALL
NO_CHARGES

@<TRIPOS>ATOM
1 C1     1.3941     3.1985     1.4175 C
2 C2     0.4660     3.8836     0.4023 C
3 C3     0.5550     3.1336    -0.9421 C
4 C4     2.0141     2.7081    -1.1988 C
5 C5     2.8367     3.7996    -0.4945 C
6 O6     2.8165     3.5019     0.9891 O
...
293 H293    -6.1018   -17.1193     1.4595 H
294 H294    -3.3596     6.8964     2.0482 H
295 H295    10.1580     3.8367    -2.0184 H
@<TRIPOS>BOND
1 1 2 1
2 1 6 1
....
296 290 293 1

------------------------

Thanks a lot for your help!

Tom
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