On Mon, Oct 24, 2005, ying xiong wrote:
> NATOM = 18610 NTYPES = 19 NBONH = 9173 MBONA = 9638
> NTHETH = 20949 MTHETA = 13180 NPHIH = 39052 MPHIA = 24559
> NHPARM = 0 NPARM = 0 NNB = 102825 NRES = 1204
> NBONA = 9638 NTHETA = 13180 NPHIA = 24559 NUMBND = 94
> NUMANG = 202 NPTRA = 69 NATYP = 61 NPHB = 0
> IFBOX = 0 NMXRS = 86 IFCAP = 0 NEXTRA = 0
>
>
> rdparm: a parameter array overflowed
>
> (e.g. the table of dihedral params)
You have 61 atom types (NATYP), and the program is only dimensioned to allow
60 such types. I don't recall ever having seen this sort of error before.
How did you construct your system? Which force field, what type of molecule,
etc.?
The "fix" is not hard: edit parms.h to increase the maximum dimension of
the array "solty". Then edit rdparm.f to change the corresponding number in
the error message. Then recompile.
But let us also know how you got this problem. The aggravating thing (to
everyone) is that the solty array is no longer used in the program anyway.
Someone might volunteer to (carefully!) fix that for amber 9: it looks to me
like if rdparm just skips reading the solty array we should probably be OK.
....dac
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Received on Mon Oct 24 2005 - 17:53:00 PDT
