[molpro-user] too large molecule?

[Jeong Sik Lim]

I am running the calculation of 16 atomic molecule in 64 bit mpp version. 

I got following massage.

 

MAXCEN TOO LARGE IN GEOMETRY RECORD: 400 CURRENT VALUE: 200

INCREASE MXATM AND RECOMPILE OR TRY "RESTART,NOGEO" TO RECOVER

 

"restart,nogeo" flag doesn't work unfortunately.

 

Is there other instruction to avoid recompiling?

Teach me please.

 

Thank you.

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