[gmx-users] Implementations of/similar to accelerated MD (aMD) in GROMACS

n any GROMACS version since 3.3. Is there any alternative method/implementation which will allow me to reliably perform such simulations in GROMACS? Regards, Manu Vajpai, PhD Candidate, IIT Kanpur India -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Su

Re: [gmx-users] errors with charmm36 ?

/GRO. You can try using grep to arrange the lipids, water and, if exist, protein atoms in the same order as the PDB. Then perform residue renumbering by using resnr with editconf to get a new rearranged and renumbered coordinate file. This should fix the error. Regards, Manu Vajpai On Tue, Jan 14