Hi, I am working on memberane peptide simulation under lipid DOPC,i have downloaded the lipid and dopc.itp from the same site,when i run grommp: ]grompp -f em.mdp -c complex.gro -o em.tpr -p complex.top it gives me: >Fetal error : Atomtype LC3 not found! (this is atomtype of the lipide) This is my complex.top file #include "protein.itp" #include "dopc.itp" #include "lipid.itp" #include "tip3p.itp" #include "ions.itp" [system] ;name protein on sur+relaxed dopc [molecules] ;name number Protein 1 DOPC 128 SOL 4086 SOD 6 CLA 8 ------------------------------- this atomtype (LC3) is in the dopc.itp and lipid.itp files but don't find in ffG43a2.rtp and .atp. i'm sure structure file is n't different in terms of the number of atoms , atomnames and the order of them with .itp files.
any help will be hightly appreciated. -- Afsaneh Maleki PhD student of physical chemistry Department of chemistry, Isfahan Univ. of Tech. Isfahan 84156-83111, Iran
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