Re: [gmx-users] Urea molecule deformed in urea-water simulations using ffamber99

2007-06-14 Thread Mark Abraham
George Abadir wrote: Hi, I am doing a simple simulation of one urea molecule dissolved in water. I am using the ffamber_urea.itp introduced in the AMBER port for GROMACS. I build a box using editconf and solvate the urea molecule using genbox with the fftip3p.itp water model also included

Re: [gmx-users] Urea molecule deformed in urea-water simulations using ffamber99

2007-06-14 Thread David van der Spoel
George Abadir wrote: Hi, I am doing a simple simulation of one urea molecule dissolved in water. I am using the ffamber_urea.itp introduced in the AMBER port for GROMACS. I build a box using editconf and solvate the urea molecule using genbox with the fftip3p.itp water model also included

[gmx-users] Urea molecule deformed in urea-water simulations using ffamber99

2007-06-14 Thread George Abadir
Hi, I am doing a simple simulation of one urea molecule dissolved in water. I am using the ffamber_urea.itp introduced in the AMBER port for GROMACS. I build a box using editconf and solvate the urea molecule using genbox with the fftip3p.itp water model also included with the AMBER port.