Hi all. I am doing dynamics studies of protein-ligand dynamics.When I am running grompp command error is coming "atomtype SDMSO NOT FOUND" . I checked in drg.itp file [ atoms ] ; nr type resnr resid atom cgnr charge mass 1 OM 1 LIG OXT 1 -0.758 15.9994 2 C 1 LIG C 1 0.362 12.0110 3 OM 1 LIG O 1 -0.758 15.9994 4 CH1 1 LIG CA 1 0.154 13.0190 5 NL 1 LIG N 2 0.590 14.0067 6 H 1 LIG H3 2 0.001 1.0080 7 H 1 LIG H4 2 0.002 1.0080 8 H 1 LIG H1 2 0.002 1.0080 9 CH2 1 LIG CB 2 0.109 14.0270 10 CH2 1 LIG CG 2 0.109 14.0270 11 SDMSO 1 LIG SD 2 0.974 32.0600 now in 11th row SDMSO IS PRESENT.How can I solve this problem?plz help me!!!
-- [image: images[12]] “Many Smiles Begin Because Of Another Smile . . . ." Regards, Rashi
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