Dear Wang,
> Here is my initial pdb file. Thanks
I was implying that "YOU" should take a look at your starting structure not
expect someone else to do the work for you. - Note you should be looking at
the fully hydrogenated and solvate structure - use ambpdb to make a pdb file
from the prmtop and inpcrd you created in leap.
/\
\/
|\oss Walker
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Sep 16 2007 - 06:07:24 PDT
