On Tue, Dec 02, 2008, oguz gurbulak wrote:
> check OAS ( I got some errors and warnings )
> I created a residue 'HEP' but I didn't save it as a lib file so I
> didn't load a lib file into leap.
If I assume(?) that your error message was something like this:
> > FATAL: Atom .R< HEP 1>.A<C1 1> does not have a type.
then the fact that you didn't load the HEP library into leap would explain
this error message.
> And also I couldn't send a mail
> includes my packmol pdb file to amber.scripps.edu.
That is because the attachment was way too large for the mail server. I have
emailed you about this earlier.
> The packmol pdb file I created does
> not have TER cards betwen each separate molecules.
That is bad..among other things, you will have to fix this.
Suggestion: start small, and work one step at a time. Be sure that you can
read and process a single HEP structure. Then use packmol to create a small
number, and try that. Then you can try to work with a very large number of
molecules.
...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Fri Dec 05 2008 - 18:28:34 PST
