[gmx-users] calculation of distance between the center of geometry of two proteins

[Soham Sarkar]

The command should be
g_dist -f md_0_1_noPBC.xtc -s dynamic.tpr -n index.ndx -o distave.xvg
Then select Chain_A and Chain_B as per the indexing number

On Mon, May 28, 2018 at 3:24 PM, SHAHEE ISLAM <islamshahee at gmail.com> wrote:

> after deleting -select
> this error is coming
> Invalid command line argument:
> cog of group "Chain_A" plus cog of group "Chain_B"
>
>
> On 5/28/18, Soham Sarkar <soham9038 at gmail.com> wrote:
> > Delete from -select.. previous are ok
> >
> > On Mon, 28 May 2018, 3:12 pm SHAHEE ISLAM, <islamshahee at gmail.com>
> wrote:
> >
> >> hi,
> >> to calculate the distance between the center of geometry of two
> >> proteins, i am using this command
> >> g_dist -f md_0_1_noPBC.xtc -s dynamic.tpr -n index.ndx -o distave.xvg
> >> -select 'cog of group "Chain_A" plus cog of group "Chain_B"'
> >> Invalid command line argument:
> >> -select
> >> here in this index file the two chain group name Chain_A and Chain_B
> >> how i will select the two chain.
> >>
> >> thanking you
> >> shahee islam
> >> university of calcutta
> >> --
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-- 
SOHAM SARKAR
Junior Research Fellow
Department of Chemistry
INDIAN INSTITUTE OF TECHNOLOGY BOMBAY