myPresto Portal ver.1.1.103 released

Functional additions

• In the force field setting of MD calculation in the [Preference] – [6.Molecule screen], the default setting of the force field were changed as follows.
  AMBER ff99SB -> FF_set* (ff99_SB_ILDN_aa, RNA_OL3, DNA_OL15)
  TIP3P -> OPC3
• The default setting of MD calculation by GROMACS for membrane systems was changed to the following.
  Time step(fsec) 2.0 -> 1.0
  Pressure (bar) 1.0 -> 10.0
  constraints (LINCS) : h-bonds -> none
• In the MD calculation dialog of GROMACS, LINCS constraints can be set by the user.
• The 3D screen is automatically RESET after the MD calculation of GROMACS.