[gmx-users] Distance of residue’s centre of mass to a surface (COM)

[James Lord]

Hi Justin,
Thanks,
g_dist is calculating the centre of mass of two groups and -dist option
print all atoms in group 2 closer than dist to
the centre of mass of group 1, while what I am looking after is the
distance of COM of residues to a surface not the centre of mass of the
surface. Am I missing anything?
Cheers
James


On Sat, Mar 28, 2015 at 1:17 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 3/27/15 8:03 AM, James Lord wrote:
>
>> Dear users,
>> If I want to calculate distance of each residue's COM of a protein to a
>> surface is g_mindist going to be my friend? It is documented that
>> "g_mindist computes the distance between one group and a number of other
>> groups. Both the minimum distance and the number of contacts within a
>> given
>> distance are written to two separate output files".
>>
>
> Use g_dist, not g_mindist.
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
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