A few thoughts on the second example.
The return of the negative from malloc may indicate that you may have a
larger problem than your machine architecture can support.
If you remove all atoms but CA, can you diagonalize then?
C
> Dear amber users,
> Performing essential Dynamics is not possible in amber8??
> I tried different ways according to the manual.
>
> Error i get is( and my projection file is empty):
> WARNING in ptraj(), transformProjection: no. of atom coords does not agree
> with no. of vect elementsignoring command
>
> my ptraj.in file:
>
> trajin amb_eq_pt2.crd
> strip :WAT
> strip :Cl-
> matrix distcovar name mcovar out mcovarnew.dat .CA
> analyze matrix mcovar out evecnew.pev name evecs vecs 3
> projection modes evecnew.pev out project.ppj beg 1 end 3 .CA
>
> The second time, The following error:
>
> ERROR in safe_malloc: Error in alloc of -14846976 bytes
> evec.in file:
> trajin amb_eq_pt2.crd
> rms first *
> matrix covar name mcovar
> analyze matrix mcovar out EVEC.pev vecs 25
> go
>
> What should i do ?
> Does anyone faces the same problem. i saw two or three postings.
> But there is no reply.
>
> -Thanks and regards
>
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Received on Wed Aug 01 2007 - 06:07:06 PDT
