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#15481 - 09/10/07 09:52 AM COUNTER VARIABLE HAS EXCEEDED ITS MAXIMUM ALLOWABLE VALUE
jeffrey Offline
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Registered: 03/18/07
Posts: 148
Dear all,

When I solvated a protein complex with about 40,000 atoms, the CHARMM program crashed giving a hint:COUNTER VARIABLE HAS EXCEEDED ITS MAXIMUM ALLOWABLE VALUE. Only one variable displayed, NODON, has exceeded its maximum value MAXPAD=72000. I searched the forum, but couldn't get a clear fix method. So I try to modify the MAXPAD=140,000 in the dimens.fcm file and recompile it, and fixed the problem temporaly. Is it advisable to do so?

btw: I compiled CHARMM with huge version, so it is imposible to move up the size...

Any suggestion is appreciated.

Thanks.

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Jeffrey

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#15482 - 09/10/07 09:55 AM Re: COUNTER VARIABLE HAS EXCEEDED ITS MAXIMUM ALLOWABLE VALUE [Re: jeffrey]
lennart Online   content

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Registered: 09/25/03
Posts: 4741
Loc: ~ 59N, 15E
Yes that's OK.
_________________________
Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden

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