Dear Sir

I tried rearranging parameters and Atom_ids which were written in wrong order in my .rsr file. This time, it says "segmentation fault (core dumped)". I recognize my problem somewhat similar to Mr. Daniele Bemporad's but as advised by you, i think in his .rsr file also, the parameters and Atom_ids are other way around. Anyway, i guess there might be some other problem apart from that. I am attaching my .rsr, .top & .log files.

Is it possible that the User restraints i am giving might be unreasonable to be met during the model generation due to which it halts? I am not sure.

Thanks for your help. Akshay Patny > > > On Tue, Jul 20, 2004 at 12:05:36AM -0500, akshay17 > > > wrote: Dear Sir, I tried removing Extra lines from my > > > .rsr file and still got the following error. > > > > > > > > > __________________________________________________________ > > > __ _ Executing Modeler Additional output in file > > > angim_06.log and in angim_06.log.moltabfile, > > > angim_06.log.restabfile, angim_06.log.viotabfile* > > > > > > lib-4190 : UNRECOVERABLE library error > > > A numeric input field contains an invalid character. > > > > > > Encountered during a list-directed READ from an > > > internal file (character variable) > > > IOT Trap > > > Abort (core dumped) > > > > > > > > > __________________________________________________________ > > __ _ > > > > Please advise. Shall, i write MODELLER 5 or MODELLER > > > 6v2 in my .rsr file. I am attaching my .rsr file > again. > > > The format of your restraints file is incorrect; see > > http://salilab.org/modeller/manual/node98.html. The > > first line must read either 'MODELLER5 VERSION: MODELLER > > FORMAT' or 'MODELLER5 VERSION: USER FORMAT'. There is no > > 'MODELLER6v2' format. Additionally, your user format > > lines are incorrect - the format should be: > > > > Id Form Modality Feature Group Numb_atoms > > Numb_parameters 0 Parameters Atom_ids > > > > - i.e., you have your parameters and Atom_ids the wrong > > way round. Your restraints file should look something > > like the following: > > > > MODELLER5 VERSION: USER FORMAT > > R 2 1 1 22 2 2 0 5.0 1.0 NZ:102 > > OD1:278 R 2 1 1 22 2 2 0 5.0 1.0 NZ:102 > > CZ:92 R 2 1 1 22 2 2 0 5.0 1.0 CZ:167 > > CG:263 R 2 1 1 22 2 2 0 5.0 1.0 NZ:199 > > CZ:259 R 2 1 1 22 2 2 0 5.0 1.0 OH:292 > > OD1:295 R 2 1 1 22 2 2 0 5.0 1.0 OH:292 > > OD1:111 R 2 1 1 22 2 2 0 5.0 1.0 NZ:240 > OD1:237 > > > Ben Webb, Modeller Caretaker > > -- > > modeller-care@salilab.org > > http://www.salilab.org/modeller/ Modeller mailing list: > > http://salilab.org/mailman/listinfo/modeller_usage > > > > Akshay Patny > (Graduate Student @ PhD) > Department of Medicinal Chemistry > School of Pharmacy, University of Mississippi > 417, Faser Hall, University, MS - 38677 > Tel : 662-915-1286(Off.), 662-236-3059(Res.) > E-mail : akshaypatny@indiatimes.com, akshay17@olemiss.edu > Web : www.olemiss.edu > >

Akshay Patny (Graduate Student @ PhD) Department of Medicinal Chemistry School of Pharmacy, University of Mississippi 417, Faser Hall, University, MS - 38677 Tel : 662-915-1286(Off.), 662-236-3059(Res.) E-mail : akshaypatny@indiatimes.com, akshay17@olemiss.edu Web : www.olemiss.edu