On Mon, Jan 23, 2006, Wu, Xiongwu (NIH/NHLBI) [E] wrote:
> The second amber9 snapshot passes compilation and test with G95
compiler.
> But it cannot be compiled on SGI IRIX64 with f90. One problem is that
> identifiers in sander/amoeba_induced.f and sander/amoeba_interface.f are
> more than 31 characters(e.g., AM_INDUCED_add_cart_to_dip_fields(...)),
...this should now be fixed in CVS.
> another problem is that dcqtp/mod/Makefile runs into errors(libdivcon.a
> cannot be made).
Can you specify what the error(s) is/are?
>
> Dave, I forgot to list a reference in the manual of Sander for SGLD.
Would
> you please add this reference after the first sentence in the SGLD input
> parameter section?
>
> "X. Wu and B.R.Brooks, Self-guided Langevin dynamics simulation method.
> Chem.Phys.Letter, 381, 512-518(2003)".
OK...will do.
Thanks for the porting report...you can also enter information into
the amber wiki:
http://amber.scripps.edu/pmwiki/pmwiki.php/Main/Amber9pf
...dave
Received on Wed Apr 05 2006 - 23:49:44 PDT
