[gmx-users] "The sum of the two largest charge group radii is larger than rlist"

[Peter Kroon]

In addition, aren't tpr's made with gromacs 5 compatible with gromacs 4?

Peter

On 13/10/15 14:04, Justin Lemkul wrote:
>
>
> On 10/13/15 8:01 AM, Shima ebrahimi wrote:
>>
>>
>> Dear users,
>>
>> I want to calculate binding free energy with g_mmpbsa in Gromacs 4.5 but
>> my trajectory has been run with Gromacs 5. So I should have new md.tpr
>> compatible with old version. When I use grompp I get this error "The sum
>> of the two largest charge group radii (14.107612) is larger than rlist
>> (1.200000)".I have checked my trajectory related to the new version and
>> there was no problem. Could anyone help me?
>
> http://www.gromacs.org/Documentation/Errors#The_sum_of_the_two_largest_charge_group_radii_(X)_is_larger_than.c2.a0rlist_-_rvdw.2frcoulomb
>
>
> -Justin
>