Dear all
I'm am not using SHAKE in some dynamics due to previously encountered
errors. However, I now face v.high energies ie they read "****". I have
tried using shake on only h-bonds however without success. If shake is not
used are there any other flags that are required?
Regards, E.Galligan
tel: 0115 9515151 ext 66272
mobile: 07968 349629
mobile email: eoingalligan_at_sms.genie.co.uk
(160 char max)
Laboratory of Biophysics and Surface Analysis,
Institute of Pharmaceutical Sciences,
Nottingham University,
University Park,
Nottingham,
NG7 2RD,
UK
Received on Wed Feb 07 2001 - 05:27:24 PST
