Re: [gmx-users] correlation function 'time value' ?

2010-03-01 Thread Ramachandran G
Dear Mark and David, Thanks you, i will check the paper very carefully and try again. regards, Rama On Sat, Feb 27, 2010 at 1:13 AM, Mark Abraham mark.abra...@anu.edu.auwrote: On 27/02/2010 7:31 PM, Ramachandran G wrote: Dear Dr. van der Spoel: Thanks for the clarification in your

Re: [gmx-users] correlation function 'time value' ?

2010-02-27 Thread Ramachandran G
Dear Dr. van der Spoel: Thanks for the clarification in your reply. One more thing I was just curious is that, for C(t) = f(x).f(x+t) , what is the default value for t, which is often called correlation time, in gromacs for correlation function calculation, especially in g_hbond, and/or is it

Re: [gmx-users] correlation function 'time value' ?

2010-02-27 Thread David van der Spoel
On 2010-02-27 09.31, Ramachandran G wrote: Dear Dr. van der Spoel: Thanks for the clarification in your reply. One more thing I was just curious is that, for C(t) = f(x).f(x+t) , what is the default value for t, which is often called correlation time, in gromacs for correlation function

Re: [gmx-users] correlation function 'time value' ?

2010-02-27 Thread Mark Abraham
On 27/02/2010 7:31 PM, Ramachandran G wrote: Dear Dr. van der Spoel: Thanks for the clarification in your reply. One more thing I was just curious is that, for C(t) = f(x).f(x+t) , what is the default value for t, which is often called correlation time, in gromacs for correlation function

[gmx-users] correlation function 'time value' ?

2010-02-26 Thread Ramachandran G
Hi gromacs users: As you know autocorrelation function C(t) C(t) = f(0).f(t) 't' value can start from 0 but, i would like to know what value does gromacs use, more specifically for g_hbond. Can anyone help me? Thank you. Rama -- gmx-users

Re: [gmx-users] correlation function 'time value' ?

2010-02-26 Thread David van der Spoel
On 2010-02-27 03.27, Ramachandran G wrote: Hi gromacs users: As you know autocorrelation function C(t) C(t) = f(0).f(t) 't' value can start from 0 but, i would like to know what value does gromacs use, more specifically for g_hbond. Can anyone help