Hi gmx users,
When I run gromacs, there is an issue with the molecules with more than one
residue. for example, for this pdb file:
ATOM 1 C1 VOD 0 8.441 1.158 0.141 1.00 0.00 C
ATOM 2 H1 VOD 0 9.420 1.340 0.570 1.00 0.00 H
On 2/14/14, 6:24 PM, Ehsan Sadeghi wrote:
Hi gmx users,
When I run gromacs, there is an issue with the molecules with more than one
residue. for example, for this pdb file:
ATOM 1 C1 VOD 0 8.441 1.158 0.141 1.00 0.00 C
ATOM 2 H1 VOD 0 9.420
Thanks Justin. But I found some residue int the rtp file which have more than
one residue inside them such as:
[ TYR ]
[ atoms ]
N N-0.31000 0
H H 0.31000 0
CA CH1 0.0 1
CB CH2 0.0 1
CG C 0.0 1
CD1 C
On 2/14/14, 7:30 PM, ehs wrote:
Thanks Justin. But I found some residue int the rtp file which have more than
one residue inside them such as:
[ TYR ]
[ atoms ]
N N-0.31000 0
H H 0.31000 0
CA CH1 0.0 1
CB CH2 0.0 1
CG
