Hi,
The hard-coded SOL reference that Justin mentioned has been fixed in Gromacs
2018.3 and 2019. If you upgrade your gromacs version, gmx solvate should work
as intended.
Kevin
> On Jan 20, 2019, at 3:11 PM, Justin Lemkul wrote:
>
>
>
>> On 1/20/19 3:04 PM, ZHANG Cheng wrote:
>> In the
On 1/20/19 3:04 PM, ZHANG Cheng wrote:
In the command
gmx solvate -cp 128_minimized.gro -cs water.gro -o waterbox.gro -maxsol 768
-radius 0.21 -p dppc.top
768 waters are added, resulting in the "waterbox.gro".
However, the "dppc.top" is not updated for its "[ molecules ]" section. I
In the command
gmx solvate -cp 128_minimized.gro -cs water.gro -o waterbox.gro -maxsol 768
-radius 0.21 -p dppc.top
768 waters are added, resulting in the "waterbox.gro".
However, the "dppc.top" is not updated for its "[ molecules ]" section. I can
of course manually add that. But why it
