February 6, 2017

We've got lipids!


We recently incorporated a series of improvements to the gromacs version of the SIRAH force field. These include:
*Force Field Improvements
New: Introducing a CG residue for lipid DMPC (dimyristoyl phosphatidylcholine), which are named MMC.
New: Corrections to non-bonded dna(CG)-protein(CG) interactions for sK and sR residues were added to ffnonbonded.itp (paper in preparation)


*Misc
New Folder: PDB/ Repository of structures to build systems with packmol

*SIRAH tool kit
sirah_prot.map
New: Added support for CHARMM residue and atom naming

sirah_ions.map
New: Added support for CHARMM residue and atom naming

sirah_lipid.map
New map file for lipids including mapping files for DMPC (MMC). 

Download the latest version!