[gmx-users] Anisotropic Pressure

Hello Folks, Is there any difference between these two anisotropic pressure setup? ### 1st setup ### pcoupl = berendsen pcoupltype = anisotropic tau_p= 5.0 5.0 5.0 0.00.00.0 compressibility = 4.53e-5 4.53e-5

Re: [gmx-users] Anisotropic Pressure

Matteo Guglielmi wrote: Hello Folks, Is there any difference between these two anisotropic pressure setup? have you tried? if so you know the result. if not, why not? ### 1st setup ### pcoupl = berendsen pcoupltype = anisotropic tau_p=

[gmx-users] Angle parameters in Amber port and in Gromacs

Hi, While performing simulations of urea in water using the AMBER port for GROMACS, I noticed that the harmonic angle potential parameters in AMBER99 port (in ffamber99bon.itp) for the angle HNH (hydrogen-nitrogen-hydrogen) are (120,292.88), which are exactly the same parameters used by

Re: [gmx-users] Angle parameters in Amber port and in Gromacs

Hi, While performing simulations of urea in water using the AMBER port for GROMACS, I noticed that the harmonic angle potential parameters in AMBER99 port (in ffamber99bon.itp) for the angle HNH (hydrogen-nitrogen-hydrogen) are (120,292.88), which are exactly the same parameters used by