Re: [gmx-users] about DMSO c-c bond and c-o bond in ffg53a6 force field

wang kelvin wrote: Thanks MARK for your reply,and your suggestion is very helpful. I don't write back until mdrun ends just now. I want to simulate DMSO property as it is cooled. So I put 500 DMSO moleculers in a box. Ref_t =300 ref_P=1. During the first 60ps ,the 500 DMSO moleculers se

Re: [gmx-users] about DMSO c-c bond and c-o bond in ffg53a6 force field

Thanks MARK for your reply,and your suggestion is very helpful. I don't write back until mdrun ends just now. I want to simulate DMSO property as it is cooled. So I put 500 DMSO moleculers in a box. Ref_t =300 ref_P=1. During the first 60ps ,the 500 DMSO moleculers seems to be diffusing outsi

Re: [gmx-users] about DMSO c-c bond and c-o bond in ffg53a6 force field

wang kelvin wrote: Hi, everyone. I am simulating DMSO. At fisrst ,bond parameters contain two c-c bonds,and c-o bond ,which actually not in existence. But gmx 's force field ffg53a6 documents in top directory defines these bonds. When running mdrun , system reminds "segmentation default". the

[gmx-users] about DMSO c-c bond and c-o bond in ffg53a6 force field

Hi, everyone. I am simulating DMSO. At fisrst ,bond parameters contain two c-c bonds,and c-o bond ,which actually not in existence. But gmx 's force field ffg53a6 documents in top directory defines these bonds. When running mdrun , system reminds "segmentation default". then i get these virtual bo