Re: [gmx-users] pdb2gmx question - protonation

2015-02-06 Thread Justin Lemkul
On 2/6/15 9:29 PM, Agnivo Gosai wrote: Dear Users I am using the default settings for the pdb2gmx program and I leave the protonation of AA residues to the program. Can anybody tell me about the default protonation states of LYS, ASP, GLU, CYS or HIS employed by pdb2gmx ? I checked the manua

[gmx-users] pdb2gmx question - protonation

2015-02-06 Thread Agnivo Gosai
Dear Users I am using the default settings for the pdb2gmx program and I leave the protonation of AA residues to the program. Can anybody tell me about the default protonation states of LYS, ASP, GLU, CYS or HIS employed by pdb2gmx ? I checked the manual but it is not explicitly mentioned. Is th