[gmx-users] Formyl parameters
shima_arasteh2001 at yahoo.com
Tue May 8 17:25:03 CEST 2012
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,
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