[gmx-users] Running the batch command

aiswarya.pawar at gmail.com aiswarya.pawar at gmail.com
Thu Sep 22 20:34:05 CEST 2011

Hi users,

Am using g_mindist to calculate the distances. Now I have to calculate for each atom ie around 1000atoms. If I try running this command in a shell script, how would designate the index file, ie my index file has protein atoms and water atoms, and have to find distance between one protein atom to all the water atoms.

How would be the flow of the script.

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