Re: [gmx-users] Re: Generating Pairs with a Buckingham Potential

2011-12-29 Thread Olivia Waring
Hi Mark, Thanks for your reply! I'm sorry, you're right, as far as I know the manual doesn't actually mention Buckingham pairs generation... but when I set gen-pairs to yes and run grompp, I get the following error: Generating pair parameters is only supported with LJ non-bonded interactions I

Re: [gmx-users] Re: Generating Pairs with a Buckingham Potential

2011-12-29 Thread Mark Abraham
On 30/12/2011 5:30 AM, Olivia Waring wrote: Hi Mark, Thanks for your reply! I'm sorry, you're right, as far as I know the manual doesn't actually mention Buckingham pairs generation... but when I set gen-pairs to yes and run grompp, I get the following error: Generating pair parameters is