Hi How can I calculate the SASA for each residue ? >From Manual => "The program will ask for a group for the surface calculation and a group for the output."
When I issue the command => g_sas -f abc.gro -s abc.tpr -n Residue1.ndx -o SASA.xvg => Gromacs will pick Residue1.ndx as both a group for the surface calculation and a group for the output. When I issue the command => g_sas -f abc.gro -s abc.tpr -n Residue1.ndx -n protein.ndx -o SASA.xvg => Gromacs will show => Fatal error:Double command line argument -n I want protein.ndx as a group for the surface calculation and Residue1.ndx as a group for the output. How to do fix the problem ? Thank you Lin Group 0 ( System) has 20659 elements Group 1 ( Protein) has 1321 elements Group 2 ( Protein-H) has 1001 elements Group 3 ( C-alpha) has 129 elements Group 4 ( Backbone) has 387 elements Group 5 ( MainChain) has 517 elements Group 6 (MainChain+Cb) has 634 elements Group 7 ( MainChain+H) has 646 elements Group 8 ( SideChain) has 675 elements Group 9 ( SideChain-H) has 484 elements Group 10 ( Prot-Masses) has 1321 elements Group 11 ( Non-Protein) has 19338 elements Group 12 ( azo) has 330 elements Group 13 ( SOL) has 19008 elements Group 14 ( Other) has 19338 elements
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