subject:"\[gmx\-users\] water shell model"

Re: [gmx-users] water shell model

2006-08-16 Thread David van der Spoel

Luciano Costa wrote: Hi all and Spoel Based on mailing list answer at Mar 20th 2003, which discribed the entire topology file for water shell model, referencing on J. Phys. Chem B. 105 (2618) 2001, I have tryed to run water polarization MD with this file.itp. However, running grompp a message

[gmx-users] water shell model

2006-08-15 Thread Luciano Costa

Hi all and Spoel Based on mailing list answer at Mar 20th 2003, which discribed the entire topology file for water shell model, referencing on J. Phys. Chem B. 105 (2618) 2001, I have tryed to run water polarization MD with this file.itp. However, running grompp a message "Water polarization shoul