I want to create graphene oxide topology files that are not included in GROMOS96 53a6 force field (JCC 2004 vol 25 pag 1656). How can I make topology and itp files for graphene oxide for above force field. I know that i have to use g_x2top, but i think that command is for oplsaa force field not working for GROMOS96 53a6 force field. If its working for GROMOS96 53a6 force field then plz write full command for above for filed.
Create the topology with g_x2top. You will need to construct a suitable .n2t file. Details are available in the manual and on the Gromacs website.
g_x2top can be used with any force field. It just so happens that OPLS-AA happens to be the only force field (I believe) that supplies an .n2t file built-in, though it is incomplete for most purposes. You can create one for any force field, just read:
http://www.gromacs.org/Documentation/File_Formats/.n2t_File
Thank's sir for your guidanc. i will try and then inform you, if its work.
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