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Bug #286

how to create a *.mdp file

Added by Fan Jiang over 10 years ago. Updated over 10 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Erik Lindahl
Category:
analysis tools
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Close

Description

Created an attachment (id=348)
*.mini

Dear Sir or Madam:

I am trying to use grompp program, so that I need to create a *.mdp file. I created a mini.mdp file by following the user guid. But the result was :

Fatal error
Group SOL not found in indexfile.
Maybe you have non-default goups in your mdp file, while not using the ā€˜-nā€™ opti on of grompp
In that case use the ā€˜-nā€™ option.

I pasted my mini.mdp file into attachment. Could you kindly help me look at the mini.mdp file, and tell me how to amend it.

Many thanks,

Fan Jiang

mini.mdp (1.08 KB) mini.mdp *.mini Fan Jiang, 02/04/2009 03:19 PM

History

#1 Updated by Erik Lindahl over 10 years ago

This is not a program bug. Please use the gmx-users mailing lists for usage questions.

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