[gmx-users] Fw: Implicit sovent simulation with CHARMM FF

Sorry..I'v made a stupid mistake annotating some lines in the .itp file. I'v fixed it. 2013-01-21 supermanczx 发件人： supermanczx 发送时间： 2013-01-21 18:59:20 收件人： gmx-users 抄送： 主题： Implicit sovent simulation with CHARMM FF Hi, all I have trouble grompping my systems containing

[gmx-users] Implicit sovent simulation with CHARMM FF

Hi, all I have trouble grompping my systems containing drug-like molecules. I am using Charmm parameter and the addion of atomtypes and pairtypes were all done. Under explicit condition everthing is alright and I also added the missing atomtypes in the gb.itp under the charmm.ff folder like this