[gmx-users] PRODRG warning

Andrew Horsfield horsfield at fecit.co.uk
Wed Jan 16 11:54:48 CET 2002


Maybe I was just being dense, but I have wasted a great deal of time from
using a topology file from PRODRG. The topology is fine, but the force
field parameters it introduces give nonsense geometries. By deleting these
parameters, and just allowing gromacs to use its own parameters, all has
become well again. Maybe this is obvious to everyone else, but if not,
then I hope this warning will save you much trouble.



   Andrew Horsfield       e-mail: horsfield at fecit.co.uk 
    FECIT, Hayes Park Central, Hayes End Road, Hayes,
           Middlesex UB4 8FE, United Kingdom.           
   phone: +44-(0)20-8606-4653  FAX: +44-(0)20-8606-4422 

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