[gmx-users] Calculate Bulk Pressure Tensor?

different position of my solid system? If gromacs allows me to do so, do I need to integrate the tensor value from one position to another position? Thanks very much for reading! Your kind help is greatly appreciated. -- Weilong Zhao Graduate Student Department of Polymer Science University of Akron

[gmx-users] VDW switched off in CHARMM tip3p model

Hi, I noticed that for GROMACS versions of 4.5 of later, the force field for TIP3P water model in CHARMM27.ff package has a following line included: The following atom types are NOT part of the CHARMM distribution .. . HWT31 1.0080000.417 A 0.0 0.0 ; TIP3p H It