Re: [gmx-users] Density measurment

2012-10-03 Thread Justin Lemkul
On 10/3/12 12:22 AM, rama david wrote: Thank you Justin for your reply , I tried g_density again after your reply. But I found that it give density with respect to box dimension and not to time. I suggested before that you could perhaps advantageously using the -b and -e flags to achieve

Re: [gmx-users] Density measurment

2012-10-02 Thread Justin Lemkul
On 10/2/12 7:07 AM, rama david wrote: Hi Gromacs Users, I did simulation of two random coil peptides for 100ns. after 70 ns these peptide get converted to anti parallel beta sheet structure. I am interested to see the water density in between these peptideswith respect

Re: [gmx-users] Density measurment

2012-10-02 Thread rama david
Thank you Justin for your reply , I tried g_density again after your reply. But I found that it give density with respect to box dimension and not to time. g_densmap have xpm output and no the xvg ( I need density or no of water molecule present in between two peptides with respect to the time