-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA256 Hello Gary--
>we are planning to do some refinement in a water box and with >electrostatics turned on. I found a pointer to your example scripts in >a >blog post from a while back: >http://kpwu.wordpress.com/2012/02/08/water-refinement-in-xplor-nih/. >According the the post there seemed to be a known problem with large >DIHE terms, however, the comment on the file hasd dissapeared so i >presume this has been fixed (It didn't seemed to be mentioned in the >release notes)? The ``issue'' is that a large number of DONE violations are reported. This is likely due to a threshold value which is too small. I think everything should be working fine. Best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: APG v1.0.8 iHMEAREIADMFAlD2uJssHENoYXJsZXMgU2Nod2lldGVycyA8Q2hhcmxlc0BTY2h3 aWV0ZXJzLm9yZz4ACgkQPK2zrJwS/laedwCeLtQpq8RmQvzhDI/JNHM95DMve0oA n2d0/BMm241B5OHxnPwPtfN+iLZ8 =M97q -----END PGP SIGNATURE-----
