[gmx-users] g_traj

Andrey V Golovin golovin at genebee.msu.su
Tue Jul 29 19:26:01 CEST 2003

Hello Alberto,

Tuesday, July 29, 2003, 9:20:23 PM, you wrote:
Hi I think you are asking too much ...

AInii> g_traj -f MD -s MD -ox
AInii> after selecting the group I want to plot (1=DPPC),

That mean that g_traj must write coordinates (3 column) for ALL atoms
in DPPC in all points of time ... use -com or ....

AInii> the machine gets very slow and then the program
AInii> exits with a "killed" message, without writing
AInii> anything in the coord.xvg file.

AInii> In my mdp file I set
AInii> nstxout = 500

AInii> Has anybody an idea about this problem?
AInii> Bye
AInii> A.

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Best regards,
 Andrey                            mailto:golovin at genebee.msu.su

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