[gmx-users] g_velacc

Nilesh Dhumal ndhumal at andrew.cmu.edu
Fri Jul 1 14:49:29 CEST 2011


I am trying to calculate the velocity autocorrelation function for my
system. I have a system with glucose + ionic liquids (128 emi (cations)
and 128 Cl (anions)).

I am not getting proper velocity autocorrelation function.

 g_velacc -f 6.trr -s 6.tpr -n glu-emi-cl-128-no.ndx -nonormalize  -e 10 -o

Attached the velocity autocorrelation function.

I am using Gromacs 4.0.7 version.



-------------- next part --------------
A non-text attachment was scrubbed...
Name: vac.pdf
Type: application/pdf
Size: 21542 bytes
Desc: not available
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110701/68fee91b/attachment.pdf>

More information about the gromacs.org_gmx-users mailing list