[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ccp4bb]: watertidy problem



***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

Hi All,
	I'm attempting to run watertidy under the gui, but the program fails
with the error message "Reparameterise nres1, nres2 - tot no of residues". I
went into the source code and found Nres1 and Nres2 changed the number from
9999 to 20000 and recompiled. Again it failed with the same message.

I'm refining a relatively small protein 243 residues in two chains, with two
ions and a ligand, chain ids are A,B,X and Y respectively and wish to
organise 340 waters.

Can anyone help

Mike Donovan