[gmx-users] parameters for CH1 -- S -- CH2 ?

Hi all, I have a small molecule with a part like: CH1 --- CH1 --- S --- CH2 --- CH1 | CH1 I first tried PRODRG, and it turned out PRODRG assigned bond, angle, and dihedral parameters according what are already present in the gromos53a6.ff/ffbonded.itp file. Since this

Re: [gmx-users] parameters for CH1 -- S -- CH2 ?

On 20/08/2011 1:57 AM, Yun Shi wrote: Hi all, I have a small molecule with a part like: CH1 --- CH1 --- S --- CH2 --- CH1 | CH1 I first tried PRODRG, and it turned out PRODRG assigned bond, angle, and dihedral parameters according what are already present in the