[gmx-users] Error in T-coupling of 2 atoms in T-couplingGroups

Chitrita Duttaroy rinkduro at gmail.com
Thu Oct 2 17:55:57 CEST 2008

Thank you Justin and Sudheer.
I had already made a solution to my problem, but didn't know whether it was
right. To confirm it I want to discuss it with you.

After doing grompp to add Na+ to the water box I have done make_ndx with
.gro file. Then in the index file I merged the index no. of 2 [NA+] into the
[SOL] group and deleted the [NA+] group. After that I could do the position
restrained grompp with the file that 2 Na+ ions.

I want to know is it a correct method or not.

Thanking you in advance,

with regards

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