From: sabri bora erdemli (serdemli_at_ku.edu.tr)
Date: Thu Mar 10 2005 - 03:23:02 CST
We were trying to simulate a protein (PDB code :1q12), but we came up with the following error.
Reason: FATAL ERROR: CAN'T FIND BOND PARAMETERS FOR BOND CP2 - CT2 IN PARAMETER FILES
Fatal error on PE 0> FATAL ERROR: CAN'T FIND BOND PARAMETERS FOR BOND CP2 - CT2 IN PARAMETER FILES
When I tried to find the bond CP2 - CT2, I saw that this was not an usual bond. In the pdb file there is no ligand or any other chemical compound. There is only protein complex.
When we tried to simulate only one of the chain of the complex seperately, there was no error. What should be the reason of this error? Do you have any idea?
I am suspicious about a problem related with psfgen.
Sabri Bora Erdemli
Research and Teaching Asistant
Computational Sciences and Engineering
Koc Universitesi pk.218 34550
tel no: 902123381736
URL : home.ku.edu.tr/~serdemli
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