Dear mark
But how can it possible that starting structure is grossly broken , up to infltegro first step I enquired my structure It looks fine but after doing enegy minimisation step i saw that structure is disturbed May be its due to restrain not working on protein . To apply position restrain on protein I have edited posre.itp file with force constant 100000 and included it in topology file- Include forcefield parameters #include "ffG53a6_lipid.itp" #include "topol_A.itp" #ifdef POSRES #include "posre_A.itp #include "topol_B.itp #ifdef POSRES #include "posre_B.itp #endif But its not working . I am unable to understand why? can u give me some idea about that? NITU sharma
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