[gmx-users] Invalid line in coordinate file

Shine Devaraj sdshine at gmail.com
Thu Dec 13 07:34:08 CET 2012


Dear users,
I have used grompp command for minimising my protein and ligand in membrane
after using inflategro command.
My system has no problem in visualizing in VMD. The protein is in proper
order
But I am getting the error
-------------------------------------------------------
Program grompp, VERSION 4.0.5
Source code file: confio.c, line: 728

Fatal error:
Invalid line in system_inf.gro for atom 6835:
25.67360 25.77400 6.59650
-------------------------------------------------------
.............
         128DPPC   C46 6396  24.164   0.531   3.551
         128DPPC   C47 6397  24.158   0.578   3.406
         128DPPC   C48 6398  24.266   0.510   3.321
6835  128DPPC   C49 6399  24.248   0.548   3.174
         128DPPC   C50 6400  24.346   0.469   3.086
          25.67360 25.77400 6.59650

Kindly make some light on this.

Thanks and regards

Shine


-- 
----------------------------------------------------------------------
Shine
shinedevraj at dypatil.edu,shine_d at rediffmail.com
9320368486



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