[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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