Re: [gmx-users] topology file with grompp program

2009-05-15 Thread Justin A. Lemkul
วันเวลา อมรนพ wrote: Dear gmx users I want to simulate propane molecule and I use PRODGE website to generate both .gro and .top file. Then I run the grompp program and there is an error said that Fatal error: Invalid order for directive moleculetype, file ""topol.top"", line 17 and below

[gmx-users] topology file with grompp program

2009-05-15 Thread ??????? ?????
Dear gmx users I want to simulate propane molecule and I use PRODGE website to generate both .gro and .top file. Then I run the grompp program and there is an error said that Fatal error: Invalid order for directive moleculetype, file ""topol.top"", line 17 and below is my topology file of a prop