[gmx-users] About Free energy surface .....g_sas
jalemkul at vt.edu
Thu Apr 4 15:39:35 CEST 2013
On 4/4/13 9:37 AM, rama david wrote:
> Thank you a lot justin for offering me help.
> I am interested to use g_sham ..( And if the other command give me my
> output, I am also interested to know the other way )
> I was confuse with the input that I have to give with g_sham.
> I proceed the following command
> g_energy is used to get potential ( pot.xvg )
> g_rmsdist is used to get rmsdist.xvg
> What sis next ????????
> My confusion start with the input to give the g_sas ...
> As you mention
> The input file is simple. It can be one of two forms:
> time x y
> or simply:
> x y
> But what is flag for command input and out put.
You need to create your own input, parsing the values from pot.xvg and
rmsdist.xvg. The combined file (.xvg) is then passed to g_sham -f.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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