Thanks! Unfortunately, it seems that it is impossible to avoid the QM calculations in order to get complete parameter sets. Before that, need your more help.
1) What’s the difference between “top_all22_prot.inp” and “top_all22_prot_lipid.inp”, or between “par_all22_prot.inp” and “par_all22_prot_lipid.inp”? just simple combination?
2) Is it feasible to combine the “top/par_all22_suger.inp” and “top/par_all22_prot_lipid.inp”?
3) what’s the difference between IC(internal coordinate) of topology file and dihedral or improper parameters? Does the IC have precedence over general dihedral or improper parameters in calculations?
4) How to get the parameter set of some glycoside bonds, e.g. alpha 1-3, beta 1-6, et al, and O-LINK? QM calculations again?
5) What’s the difference between CHARMM format and XPLOR format of force field parameter sets? Can they be exchanged automatically?
Thanks a lot!
Shouqin Lv