Where does swissparam get its parameters for charmm? and does it use custom atomtypes for generic molecules? I have been using CGenFF-derived parameters for molecules that aren't in base c36 and I think it's working well for me... -- Sent from my Android phone with K-9 Mail. Please excuse my brevity.
Shima Arasteh <[email protected]> wrote: Dear gmx users, My .pdb input file has a formyl group which is not defined in CHARMM27 and CHARMM36. So I got its .itp file through swissparam. Now I want to use its parametrs. As I read in gromacs.org , I need to include this .itp in .top file. How does it come when I have not got any .top file yet? Anybody can suggest me how I can use .itp file and solve my problem? Thanks in advance, Shima
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