[gmx-users] Restraining bilayer/water system

[Xavier Periole]

fsaadedi at staffmail.ed.ac.uk wrote:

>
> The posre itp file represents one lipid molecule and the p2.itp file 
> represents all water molecules.
> I have a p1.itp file that represents one water molecule but this also 
> brought up the :
>
>>> cpp exit code: 256
>>> cpp: too many input files
>>> [tripos]dopc/minidopc$ Tried to execute: '/lib/cpp -I 
>>> -I/usr/local/share/gromacs/top -DPOSRES dopc.top > grompptByAm1'
>>
You have to be very carefull in the order that you include the 
information into the
topology files.
Basically you should include the information of posre after tohe 
topology with the
"ifdef" flag ...

AND the position restrain on water must not include all water molecules !
You define it for one molecule.

XAvier

-- 
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 Xavier Periole - Ph.D.

 Dept. of Biophysical Chemistry / MD Group   
 Univ. of Groningen
 Nijenborgh 4
 9747 AG Groningen
 The Netherlands
 
 Tel: +31-503634329
 Fax: +31-503634398
 email: x.periole at rug.nl
 web-page: http://md.chem.rug.nl/~periole
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