I need some help with basics of charmm RTF files. I defined a Residue CAPCH3 for myself in a RTF file, and read it by the following commands: OPEN UNIT 10 READ CARD NAME "MYRESIDU.RTF"; READ RTF UNIT 10; READ SEQU CAPCH3 1, GENE CAPS SETUP; IC PARA; IC BUILD, ..... I got a message that says: ******ERROR GENIC****** Residue was not found.
I believe the definition of new residue is something pretty common, but in no means I can figure out why I got this error message always. I tried to put the definition of the residue directly into the top_all22_prot.inp, it still didn't work, Maybe I missed some general concepts of Charmm ? Thank you very much if any of you can offer some advice on this