Re: [gmx-users] topology of HEO compound in .rtp for G96 ff

2009-05-21 Thread Justin A. Lemkul
Egidijus Kuprusevicius wrote: Hello, could anyone help me and check if the topology of the HEO compound was done properly for G96 ff? Thanks in advance. I couldn't find it in the database, so I decided to try to make it manualy. Any comments would be appreciated. Or maybe does exists any pro

[gmx-users] topology of HEO compound in .rtp for G96 ff

2009-05-21 Thread Egidijus Kuprusevicius
Hello, could anyone help me and check if the topology of the HEO compound was done properly for G96 ff? Thanks in advance. I couldn't find it in the database, so I decided to try to make it manualy. Any comments would be appreciated. Or maybe does exists any programs who does the work? [ HEO