[gmx-users] g_sas = calculate the SASA for each residues ?

2010-08-26 Thread Chih-Ying Lin
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

Re: [gmx-users] g_sas = calculate the SASA for each residues ?

2010-08-26 Thread Justin A. Lemkul
Chih-Ying Lin wrote: 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