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%PSFRD2-ERR: MAXA exceeded
#6693 05/17/05 01:51 AM
Joined: Jul 2004
Posts: 13
uma347 Offline OP
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Hello all,

I get this error when I try to read a psf generated from a previous run.My system has 63514 atoms. While I understand that it is a large no of atoms, I dont understand why charmm didnot complain when I wrote the psf file but does not let me read it again.

Thanks,
Uma

Re: %PSFRD2-ERR: MAXA exceeded
uma347 #6694 05/17/05 05:32 PM
Joined: Feb 2004
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Most likely you can get rid of the error by compiling CHARMM for bigger systems (using "xxlarge" or maybe even "huge" as install.com parameter).

Nevertheless, could you please post in this forum (perhaps in the "Bug Rports and Fixes" section) the input file that you used to create this system so that we could try to reproduce your problem ?


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