[gmx-users] Running the batch command

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

Re: [gmx-users] Running the batch command

aiswarya.pa...@gmail.com wrote: 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