[gmx-users] bus error / opps, sorry david, sent reply to ur private inbox by accidnet
kai.zhuang at gmail.com
Wed Jul 13 21:07:41 CEST 2005
i get an bus error on a mutated ligand/receptor binding system while
i have concluded that the problem has nothing to do with my mutation
of the original structure. i have no idea what's going on, -debug
flag does not result in anything different
the error log shows as this:
Linking CYS-6 SG-41 and CYS-11 SG-74...
Linking CYS-7 SG-47 and CYS-28 SG-220...
Linking CYS-20 SG-152 and CYS-40 SG-310...
There are 75 donors and 77 acceptors
There are 104 hydrogen bonds
Will use HISB for residue 26
Will use HISB for residue 31
Checking for duplicate atoms....
deleting duplicate atom O ASN 21 ch A pdb nr 312
deleting duplicate atom O THR 51 ch A pdb nr 474
Now there are 403 atoms
sorry about sending emails to your private inbox,
i didn't realize Gmail's reply function toss mails to private mailbox
instead of the list
BioMedical Engineering @ University of Toronto
kai dot zhuang at gmail dot com
More information about the gromacs.org_gmx-users