Hi there,
when using for example:
pdb2gmx -f aQQQ.pdb -o agQQQ.pdb -p agQQQ.top -ff amber99sb -water none
I got in the agQQQ.pdb, things like:
ATOM 15 NE2 NGL 1 4.309 7.159 2.648 1.00 0.00
N
ATOM 16 1HE2 NGL 1 4.030 7.698 3.448 1.00 0.00
HE
ATOM 17
On 2010-09-09 18.37, Alan wrote:
Hi there,
when using for example:
pdb2gmx -f aQQQ.pdb -o agQQQ.pdb -p agQQQ.top -ff amber99sb -water none
I got in the agQQQ.pdb, things like:
ATOM 15 NE2 NGL 1 4.309 7.159 2.648 1.00 0.00
N
ATOM 16 1HE2 NGL 1 4.030
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