On 25/12/2010 2:32 PM, shikha agarwal wrote:
hello
Merry Christmas.....
this is my topol_pope.top file
; Include chain topologies
#include "forcefield.itp"
#include "pope.itp"
; Include water topology
#include "spc.itp"
; Include ion topologies
#include "ions.itp"
; System specifications
[ system ]
340-Lipid POPE Bilayer
[ molecules ]
; molecule name nr.
POPE 340
SOL 6729
but it should contain protein molecule .what should be topology file
,, how to generate that for system.gro according to tutorial. my
protein has 344 molecules .
I tried to use g_x2top but it is not available for gromos53a6.
You need an .itp file for your protein, and to #include it, and to
adjust the [molecules] field suitably.
Mark
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