Re: [gmx-users] .gro => atom number

2008-10-31 Thread Mark Abraham
Chih-Ying Lin wrote: Hi .gro file MD of 2 waters, t= 0.0 6 1ABC OW11 0.126 1.624 1.679 0.1227 -0.0580 0.0434 1ABC HW22 0.190 1.661 1.747 0.8085 0.3191 -0.7791 1ABC HW33 0.177 1.568 1.613 -0.9045 -2.6469 1.3180 2ABC OW14 1.275 0.053 0.

Re: [gmx-users] .gro => atom number

2008-10-31 Thread Justin A. Lemkul
Chih-Ying Lin wrote: Hi .gro file MD of 2 waters, t= 0.0 6 1ABC OW11 0.126 1.624 1.679 0.1227 -0.0580 0.0434 1ABC HW22 0.190 1.661 1.747 0.8085 0.3191 -0.7791 1ABC HW33 0.177 1.568 1.613 -0.9045 -2.6469 1.3180 2ABC OW14 1.275 0.053

[gmx-users] .gro => atom number

2008-10-31 Thread Chih-Ying Lin
Hi .gro file MD of 2 waters, t= 0.0 6 1ABC OW11 0.126 1.624 1.679 0.1227 -0.0580 0.0434 1ABC HW22 0.190 1.661 1.747 0.8085 0.3191 -0.7791 1ABC HW33 0.177 1.568 1.613 -0.9045 -2.6469 1.3180 2ABC OW14 1.275 0.053 0.622 0.2519 0.3140 -0.