[gmx-users] Restraining bilayer/water system

[Xavier Periole]

Farid Sa'adedin wrote:

> Dear Yang Ye,
>
> Apologies for the late reply.
>
> Here is my top file:
>
> TOP FILE:
>
> #include "/home/tripos/lipid/ffgmx2_lipid.itp"
> #include "/home/tripos/lipid/DOPCHT.itp"


>
> #include "/usr/local/share/gromacs/top/spc.itp"
>
>
> [ system ]
> ; name
> DOPC in water
>
move the three following lines between includes of
the DOPCHT.itp file and the spc.itp

> #ifdef POSRES_L
> #include "/home/tripos/lipid/dopc/minidopc/POSRE_L.itp" in water
> #endif
>

> [ molecules ]
> ; name number
>
> DOPC    18
>
>
>
> SOL              1463
>


-- 
----------------------------------
 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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