[gmx-users] compatibility between ff14SB and GLYCAM_06j-1 force field

Louise Lassalle llassalle at lbl.gov
Thu Mar 21 22:22:28 CET 2019


I get a compatibility error between ff14SB and GLYCAM_06j-1 with gromacs 
2018.4. I prepared my model (protein with co factors and lipids) via 
tleap and when I tried to convert to gromacs file with ParmEd I got this 
error: "Structure has mixed 1-4 scaling which is not supported by Gromacs".

Does the next version of gromacs will be able to solve this problem? I 
need the ff14SB version for some atoms of the HEME and the GLYCAM for 
the lipids (HTG, LMG and SQD). What could be an equivalent of GLYCAM ?

Thank you,

Louise Lassalle

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