Dear all, I am refining a structure in which there is an fluorine atom in the inhibtor. When I go on the energy minimization in CNS, an unusual error happened to this atom:
Program version= 1.1 File version= 1.1 CONNECt: selected atoms form 9 covalently disconnected set(s) list of isolated (non-covalently bonded) atoms: --none-- list of isolated (non-covalently bonded) di-atomic molecules: --none-- %XRASSOC-ERR: missing SCATter definition for ( $ RX4 300 FAF ) chemical=FPAF %XRASSOC error encountered: missing SCATter definition for SELEcted atoms. (CNS is in mode: SET ABORT=NORMal END) ***************************************************** ABORT mode will terminate program execution. ***************************************************** Program will stop immediately. I have check the topology file, the paramter file, and the scatter.lib file, but found nothing is unusual in these files. Had anyone ever encountered this problem before? Any suggestion would be welcome and thank you in advance! Best Regards, Jian Wu -- Jian Wu Ph.D. Student Institute of Biochemistry and Cell Biology Shanghai Institutes for Biological Sciences Chinese Academy of Sciences (CAS) Tel: 0086-21-54921117 Email: [EMAIL PROTECTED]
