Dear All

In the code of SASA solvation energy a bug was introduced in the c31b1 to c31b2 transition, affecting versions c31b2, c32a1 and c32a2. When someone tries to simulate a sequence that does not contain any TRP or PHE or TYR (or whenever the nonbond explicit exclusion list is empty), one would get a segmentation fault. The error resides in the code
The problem can be solved by commenting two lines in this code:

line 512 :


and the end of this if statement
line 534:


We apologize for this. Simulations of systems with the
aforementioned residues are not affected and should be correct.

Riccardo Pellarin and Amedeo Caflisch

PS further informations can be found in the attached bugfix.form

Attached Images
6949-bugfix.form.txt (0 Bytes, 832 downloads)
Last edited by riccardo; 06/23/05 02:35 PM.