[gmx-users] Tip5p with gromos 96, error atom has mass 0

2006-09-04 Thread 主月 :)
Hi all: I built a topol file for tip5p water accordint to tip5p.itp which is designed for OPLS.But when i used grompp to built a tpr file,three errors came even the system just have one tip5p water. The error is : ERROR 1 [file "topol.top", line 10]: atom OW Res SOL-1 has

Re: [gmx-users] Tip5p with gromos 96, error atom has mass 0

2006-09-04 Thread David van der Spoel
主月 :) wrote: Hi all: I built a topol file for tip5p water accordint to tip5p.itp which is designed for OPLS.But when i used grompp to built a tpr file, three errors came even the system just have one tip5p water. The error is : ERROR 1 [file topol.top, line 10]: atom OW Res SOL-1 has