Hi all I have a question regarding generate in CNS
If I use the Generate_easy script with my protein seperated from
my waters with the TER card and then water seperated from my 2 ions
again with a TER card I get the following error message for both the
water and the ions
COOR>ATOM 1366 OH2 TIP3 303 37.098 81.057 7.718 1.00 29.29
%SEGMNT-ERR: No matching FIRST patch found
%SEGMNT-WRN: no matching LINK found
This continues for all waters.
%SEGMNT-ERR: no matching LAST patch found
COOR>ATOM 1424 ZN+2 ZN 301 40.537 74.901 6.569 1.00 58.07
%SEGMNT-ERR: No matching FIRST patch found
%SEGMNT-WRN: no matching LINK found
%SEGMNT-ERR: no matching LAST patch found
Is this normal ? or am I doing somthing stupid ?
If I run generate.inp using the same data, I have no complataints from
generate but after I run minimize.inp my bond angles and lengths are all
wrong ie bond angles 0.05000 and bond lengths 2.7000
any assistence would be greatly appreciated
Thanks
Alan
atunni at imb-jena.de
