Re: amber-developers: cvs amber9

From: David A. Case <>
Date: Mon, 18 Apr 2005 18:51:19 -0700

On Mon, Apr 18, 2005, Wu, Xiongwu (NIH/NHLBI) wrote:
> Sorry to bother you with my questions. Here I try to commit my changes
> file ips.f, ew_force.f, and force.f, but get a message says:
> *** Access denied: Insufficient Karma (xuxw|amber9/src/sander)
> cvs server: Pre-commit check failed

I have added write permission for user "xuxw" (on to
commit to Amber 9. I tried before as "wuxw", which doesn't match the
file on chagall.

Is "xuxw" what you really want, or is it a typo by Mike? It seems less
confusing to use your regular user name....

Thanks for working on the parallel adaptation. Please look in
amber9/test/gact_ips and in amber9/test/gb_rna to see if the new results
OK....they are different from wxwsander in Amber 8, but it looks like the
bug existed there as well. If the current results are OK, we should copy
into the "save" files.

I have corrected another problem (I think): If you set ips=2 (just IPS for
electrostatics), then you should add in the continuum long-range vdw
correction, but this was not being done. See revision 8.13 of ew_force.f,
let me know if you see any problems. If I include this change, then I get
essentially identical densities with PME or with IPS; without the change,
IPS=2 densities are too low by about 1% (which is what one would expect
without the long-range vdw correction.)

Thanks again for working on this!....dave

David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |
Received on Wed Apr 05 2006 - 23:49:58 PDT
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