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hello every body,
I want simulate tetramer of chitosan and a graphene sheet in tip3p water.the charm gui was create the itp files and I have position_restraints for all atoms of graphene in this way:
[ position_restraints ]
1 1 POSRES_FC_BB POSRES_FC_BB POSRES_FC_BB
2 1 POSRES_FC_BB POSRES_FC_BB POSRES_FC_BB
3 1 POSRES_FC_BB POSRES_FC_BB POSRES_FC_BB
4 1 POSRES_FC_BB POSRES_FC_BB POSRES_FC_BB
5 1 POSRES_FC_BB POSRES_FC_BB POSRES_FC_BB
6 1 POSRES_FC_BB POSRES_FC_BB POSRES_FC_BB
…
in the grompp step of nvt equilibrium, I encountered 21 errors like this:
ERROR 1 [file chit.itp, line 932]:
No default Position Rest. types for interaction
‘3 1 POSRES_FC_SC POSRES_FC_SC POSRES_FC_SC’.
Can anyone help me .
Thank you so much.
Regards
Boshra Moradi