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: [EMAIL PROTECTED]
web-page: http://md.chem.rug.nl/~periole
----------------------------------
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