Hi,
I am trying to generate the prmtop and inpcrd files for a protein. Leap is
adding hydrogens to it (althought the pdb structure was already edited in
InsightII and hydrogens were added there according to the experimental
pH). But then when I want to save the .prmtop and .inpcrd files I get the
following error message for all those Hydrogens added by Leap.
FATAL: Atom .R<MET 2049>.A<HG1 19> does not have a type.
When I load xleap I tried with the 2002, 1999 and 1994 force fields but it
seems that it makes no difference.
Can anyone point me out what is causing this?
Thanks,
Ioana
Received on Tue Jul 30 2002 - 20:34:44 PDT
