Re: CCL:ERROR Message in Charmm

 short answer  ---
 yes you have exceeded the capacity in your version of charmm
 easy fix --
 charmm can be installed in a variety of sizes, you have it either
 installed at medium or small.. try large. Large defintly can handle 42000
 atoms, and I think has a limit of 62000 atoms.
 Fred
 salsb-: at :-scripps.edu
 On Wed, 27 Sep 2000, Xiang(Simon) Wang wrote:
 > Dear CCLers:
 >
 > I got the following error message when reading a protein structure
 > solvated by a water droplet model:
 >
 > ****  ERROR  **** A COUNTER VARIABLE HAS EXCEEDED ITS MAXIMUM ALLOWABLE
 > VALUE.
 > EXECUTION WILL BE TERMINATED.
 > THE CURRENT COUNTER VARIABLES AND THEIR MAXIMUM ALLOWED VALUES ARE:
 >
 > NSEG = 5 MAXSEG = 1000 NATOM = 42454 MAXA = 25140 NBOND = 42520 MAXB =
 > 25140
 > NTHETA = 25666 MAXT = 25140 NPHI = 20579 MAXP = 50280 NIMPHI = 1333 MAXIMP
 > = 9200
 > NNB = 0 MAXNB = 17200 NDON = 896 MAXPAD = 8160 NACC = 12322 MAXPAD = 8160
 > NRES = 12062 MAXRES = 14000 NATC = 193 MAXATC = 500 NCB = 225 MAXCB = 1500
 > NCT = 554 MAXCT = 15500 NCP = 662 MAXCP = 3000 NCI = 65 MAXCI = 600
 > NCH = 0 MAXCH = 3200 NCN = 5565 MAXCN = 20000
 >
 > I notice that the number of atoms and bonds has exceeded the maximum
 > limit. Does it mean I reach the calculation capacity of Charmm?
 >
 > Any advices and suggestions are highly appreciated.
 >
 > Xiang WANG
 >
 >
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