[gmx-users] fatal error using grompp

[karan syal]

hey..i am encountering the following error using grommp :


------------------------------
Program grompp, VERSION 3.3
Source code file: confio.c, line: 709

Fatal error:
Invalid line in protein_water_urea.gro for atom 3698:
   3.38710   3.38710   3.38710
-------------------------------------------------------

the corresponding co-ordinates in gro file are:
1170SOL     OW 3696   2.721   3.236   1.878
 1170SOL    HW1 3697   2.675   3.251   1.966
 1170SOL    HW2 3698   2.765   3.321   1.848
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