Dear David, Looking at the log file, it appears to me that all xplor-shell commands start with NOE> This indicates that you are still defining stuff in terms of NOEs.
I think you have to end your restraintfile with the "end" statement. Leave out the quotation marks of course. Hope this fixes your problem. Kind regards, Ramon van der Werf On Mon, 2008-05-19 at 15:32 -0400, xplor-nih-request at nmr.cit.nih.gov wrote: > Send Xplor-nih mailing list submissions to > xplor-nih at nmr.cit.nih.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih > or, via email, send a message with subject or body 'help' to > xplor-nih-request at nmr.cit.nih.gov > > You can reach the person managing the list at > xplor-nih-owner at nmr.cit.nih.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Xplor-nih digest..." > > > Today's Topics: > > 1. ERROR encountered on input (David P. Giedroc) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Mon, 19 May 2008 15:32:22 -0400 > From: "David P. Giedroc" <giedroc at indiana.edu> > Subject: [Xplor-nih] ERROR encountered on input > To: xplor-nih at nmr.cit.nih.gov > Message-ID: <ED4E86CE-A08A-4E1F-B5B8-0CF500600B59 at indiana.edu> > Content-Type: text/plain; charset="us-ascii" > > Hello, > > I am using an xplor sa script (rsa.inp) to generate sa structures > from random structures written from a random.inp script. The rsa.inp > and test_rsa.out files are attached. If you go to the end of the > test_rsa.out file you will see this, with no structures written to > the directory: > > NOE>{====>} {*Name(s) of the family of final > structures.*} > NOE> evaluate ($filename="refine/refine_"+encode($count)+".pdb") > NOE> > NOE> write coordinates output =$filename end > NOE> > NOE>end loop main > NOE> > NOE>stop > %NEXTF-ERR: EOF or ERROR encountered on input: > > ^^^^^ > %NOE-ERR: EOF encountered: > > ^^^^^ > %NEXTF-ERR: EOF or ERROR encountered on input: > > ^^^^^ > HEAP: maximum use= 1337761 current use= 1195981 > PRIEND: 1 levels not terminated > LEVEL= 1 KEY=X-PLOR> ACTION=GO > X-PLOR: total CPU time= 0.1000 s > X-PLOR: entry time at 14:08:08 19-May-08 > X-PLOR: exit time at 14:08:08 19-May-08 > > These scripts were previously run with ver 2.10; we're now using 2.19 > on a Linux computer. > > I get the same error message if I change the loop to calculate 1 > structure or use a different .inp file. > > Thanks for your help. > > David > -------------- next part -------------- > A non-text attachment was scrubbed... > Name: test_rsa.out > Type: application/octet-stream > Size: 60639 bytes > Desc: not available > Url : > http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20080519/c6545b94/attachment.obj > > -------------- next part -------------- > A non-text attachment was scrubbed... > Name: rsa.inp > Type: application/octet-stream > Size: 9188 bytes > Desc: not available > Url : > http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20080519/c6545b94/attachment-0001.obj > > > ------------------------------ > > _______________________________________________ > Xplor-nih mailing list > Xplor-nih at nmr.cit.nih.gov > http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih > > > End of Xplor-nih Digest, Vol 63, Issue 8 > **************************************** > -- R.M. van der Werf <R.vanderWerf at nmr.ru.nl> Radboud University Nijmegen
