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

2008-09-16 Thread prasun kumar
dear Justin

I tried by including lipid.itp,but it was giving error also
what to do then
with regards

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

2008-09-16 Thread 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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--


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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