[gmx-users] On the usage of g_sas

[Jernej Zidar]

Hi,
  I would like to use g_sas to determine the surface properties of an
organic molecule and was wondering whether to trust g_sas in picking the
hydrophobic/hydrophilic atoms. I also saw one can supply an option index
file -f_index) for that but nothing is said about the form of this file.
Which option is better? I'm using the Charmm-generalized forcefield.

Thanks in advance for the advice,
Jernej Zidar


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