Re: [gmx-users] To add all hydrogens

[EMAIL PROTECTED] wrote: Dear All, First of all, I would like to give my thanks for the help David van der Spoel has given us. I'm doing an energy minimization with mdrun without problems. However, I've noticed that Gromacs is only adding the polar hydrogens and not all the hydrogens durin

Re: [gmx-users] To add all hydrogens

Depends on the force field. Take opls/aa for all hydrogens.Best,Kay.On May 22, 2006, at 3:52 PM, <[EMAIL PROTECTED]> wrote:Dear All, First of all, I would like to give my thanks for the help David van der Spoel has given us. I'm doing an energy minimization with mdrun without problems. However, I

[gmx-users] To add all hydrogens

Dear All, First of all, I would like to give my thanks for the help David van der Spoel has given us. I'm doing an energy minimization with mdrun without problems. However, I've noticed that Gromacs is only adding the polar hydrogens and not all the hydrogens during the energy minimization. I wou