[gmx-users] Correlation Functions

[Sina Omrani]

 Hi,
1. Can we define a correlation function in GROMACS or we only can use those
that are already defined? If we can do it I appreciate a useful hint.
2. When I use gmx velacc command I get "Not enough trajectory frames" error
even though I used different nstvout. What frequency should I choose for
data collection? I've read the manual but there is not a rule for it.
Thank you.

On Mon, 27 Jan 2020 at 15:23, Sina Omrani <sinaomrani96 at gmail.com> wrote:

> Hi,
> 1. Can we define a correlation function in GROMACS or we only can use
> those that are already defined? If we can do it I appreciate a useful hint.
> 2. When I use gmx velacc command I get "Not enough trajectory frames"
> error even though I used different nstvout. What frequency should I choose
> for data collection? I've read the manual but there is not a rule for it.
> Thank you.
>