[gmx-users] Input/output error in GROMACS
Elie M
elie.moujaes at hotmail.co.uk
Fri Sep 21 02:00:27 CEST 2012
Dear all,
I am trying to use editconf to produce a .GRO file from an .XYZ file but I am getting the following error:
"Program editconf, VERSION 4.0.5Source code file: futil.c, line: 330
File input/output error:S54NONSOLV.xyz.gro"
Some of the input file is:46S54 NONSOLVATED POLYMERC 5.337500001 -1.902900000 0.000000000C 5.750000001 -2.617400000 0.000000000S 5.197900001 -3.230500000 0.000000000C 4.444300001 -2.894900000 0.000000000C 4.530500001 -2.074400000 0.000000000C 3.015300000 -2.894900000 0.000000000C 3.729800000 -3.307400000 0.000000000C 3.729800000 -4.132400000 0.000000000C 3.015300000 -4.544900001 0.000000000C 2.300800000 -4.132400000 0.000000000C 2.300800000 -3.307400000 0.000000000.......
The XYZ format is right. Is it that editconf cannot read .XYZ files although I understood otherwise..
Thanks
Elie
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