[gmx-users] Error in itp file

Souvik Dey souvik.dey29 at gmail.com
Wed Aug 2 18:36:10 CEST 2017


I just generated an itp file from ACPYPE. However, if I try to add ions it
shows the following error:

Fatal error:
Syntax error - File FAD.itp, line 3
Last line read:
'[ atomtypes ]'
Invalid order for directive atomtypes

Can somebody say how do I fix this?

Souvik Dey

Souvik Dey
Integrated Science Education & Research Centre
Visva Bharati University
West Bengal

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