On Thu, Nov 01, 2012, Changqing Yan wrote:
>
> > loadamberparams 2-capto.frcmod
> Loading parameters: ./2-capto.frcmod
> Reading force field modification type file (frcmod)
> Reading title:
> >From VanBeek et al. Biophys J. (2007) 92, 4168-4178
>
>
> Usually the normal situation is that, there would appear a "<" sign and can
> enter commands. Thus there must be some problem. But I cannot fix it and
> ask for your help.
You frcmod file has the wrong format. Atom types need to be two characters
long:
> N-C-H 50.0 109.50 AA general changed based on NMA nmodes
Change to:
N -C -H 50.0 109.50
etc. It is true that tleap should give a better error message here; but
until then, each atom type has to take exactly two characters.
...good luck...dac
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Received on Thu Nov 01 2012 - 12:00:03 PDT
