[gmx-users] RE: the .mdp format

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 3 12:47:43 CEST 2008

Vitaly Chaban wrote:
>> I did not fully understand about this command.
>> Could anyone explain this more?
>> Thanks a lot
>> include:
>> directories to include in your topology. Format:
>> -I/home/john/my_lib -I../more_lib
> This is a directory where your topology files are placed, isn't it?

More or less, yes.  By default, Gromacs searches $GMXLIB and the current 
working directory for the necessary topology information.  The "include 
= -I" line can be used to specify the location(s) of other necessary 



Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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