Dear administrators:

My group downloaded the newest charmm edition recently and after compiling it, I tried to test it using the proteins I used. I could use the old topology files without any problem but it could not work using the new topology files. So I am trying to combine the old file and the new file. For a lot of atom types, the new file did not define. So what should I do to combine them? Should I just copy all the extra part from the old top_all22_prot.inp to the new file, or only copy the part my proteins need? If I copied all the extra part from the old file to the new top file, will it cause problem on the par file? Thanks a lot.




Last edited by lqz; 02/25/10 04:37 PM.