[gmx-users] Re: energy conservation: shift vs shifted user potential

2012-06-12 Thread Anja Kuhnhold
Abrahammark.abra...@anu.edu.au Datum Fri, 08 Jun 2012 23:40:35 +1000 An Discussion list for GROMACS usersgmx-users@gromacs.org Betreff Re: [gmx-users] Re: energy conservation: shift vs shifted user potential On 8/06/2012 5:59 PM, Anja Kuhnhold wrote: Hello all, can someone give me

Re: [gmx-users] Re: energy conservation: shift vs shifted user potential

2012-06-12 Thread Mark Abraham
for GROMACS usersgmx-users@gromacs.org Betreff Re: [gmx-users] Re: energy conservation: shift vs shifted user potential On 8/06/2012 5:59 PM, Anja Kuhnhold wrote: Hello all, can someone give me a hint, please? Do you need more information? Has anyone had a similar problem. I really need to figure

[gmx-users] Re: energy conservation: shift vs shifted user potential

2012-06-08 Thread Anja Kuhnhold
Hello all, can someone give me a hint, please? Do you need more information? Has anyone had a similar problem. I really need to figure that out, because I will simulate other systems which can be run only with user tables. Anja - - Original Message - - Original Message -

Re: [gmx-users] Re: energy conservation: shift vs shifted user potential

2012-06-08 Thread Mark Abraham
On 8/06/2012 5:59 PM, Anja Kuhnhold wrote: Hello all, can someone give me a hint, please? Do you need more information? Has anyone had a similar problem. I really need to figure that out, because I will simulate other systems which can be run only with user tables. Anja - - Original