[gmx-users] gmx mdmat calculation of heavy atoms of two side chains

Мижээ Батсайхан b.mijiddorj at gmail.com
Mon Jul 31 07:19:10 CEST 2017

Dear gmx users,

I would like to know about the hydrophobic interaction between heavy atoms
of side chains in different chains of peptides. How can I use mdmat tool
for this calculation? I  separately indexed all heavy atoms but mdmat use
only one index group in the calculation. I re-integrated all separate
groups into a group. Calculation result came out only two side chain
distance image.
If you have any suggestion please help me?

Best regards,

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