[gmx-users] "The sum of the two largest charge group radii is larger than rlist"
p.c.kroon at rug.nl
Tue Oct 13 15:17:57 CEST 2015
In addition, aren't tpr's made with gromacs 5 compatible with gromacs 4?
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?
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