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

[Justin A. Lemkul]

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:

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

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

-Justin

> prasun
> 
> 
> 
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-- 
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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