Re: [gmx-users]D Gsol from g_sas calculation

2008-07-17 Thread David van der Spoel
limei zhang wrote: Hi to all, I did surface calculation on a protein either with or without Cu-binding, using g_sas with exactly the same parameter setting. For the delta solvation energy from the output file (the the 5th column in the output file with a label of D Gsol), non-Cu bound prote

[gmx-users]D Gsol from g_sas calculation

2008-07-16 Thread limei zhang
Hi to all, I did surface calculation on a protein either with or without Cu-binding, using g_sas with exactly the same parameter setting. For the delta solvation energy from the output file (the the 5th column in the output file with a label of D Gsol), non-Cu bound protein gives all 0, but