Re: [gmx-users] time of dynamic

Víctor Bahamonde wrote: Hello gmx-users I have 2 dynamic, one is the continuation of the other. The problem is that both start at time 0. Is there any way to change the dynamic time in order to concatenate both? trjcat -settime. -Justin Thanks in advance. /Víctor E. Bahamonde Padilla L

[gmx-users] time of dynamic

Hello gmx-users I have 2 dynamic, one is the continuation of the other. The problem is that both start at time 0.Is there any way to change the dynamic time in order to concatenate both? Thanks in advance. Víctor E. Bahamonde Padilla Laboratorio de Fisicoquímica Molecular Departamento de Química

Re: [gmx-users] time of dynamic

> > >> would you please tell me for compare dynamic peptide what time for MD >> is enough by gromacs?generally. > > You can take your 20 ns simulation, and divide it into 2-4 parts, each 10 (or 5) ns long. Then, calculate the property you are interested in for each part seperately. If 20 ns is more

Re: [gmx-users] time of dynamic

shahrbanoo karbalaee wrote: Dear Justin/mark would you please tell me for compare dynamic peptide what time for MD is enough by gromacs?generally. I think 20ns enough ,what do you think? many people suggest 120ns It depends on the properties of your system and what you're trying to observ

[gmx-users] time of dynamic

Dear Justin/mark would you please tell me for compare dynamic peptide what time for MD is enough by gromacs?generally. I think 20ns enough ,what do you think? many people suggest 120ns best -- sh-karbalaee ___ gmx-users mailing listgmx-users@g