[gmx-users] Re: gmx-users Digest, Vol 53, Issue 82

Justin A. Lemkul jalemkul at vt.edu
Tue Sep 16 15:09:31 CEST 2008

prasun kumar wrote:
> dear Justin
> I tried by including lipid.itp,but it was giving error also
> what to do then
> with regards

If you #include "lipid.itp" then you are not doing what I have said.  You must 
append the parameters from lipid.itp into the force field file that you are using.

For example:

#include "ffgmx.itp"
#include "lipid.itp"
#include "dppc.itp"

#include "ffgmx_lipid.itp" ; modify ffgmxnb.itp and ffgmxbon.itp to 
include 					   ; lipid.itp parameters
#include "dppc.itp"


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


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