[gmx-users] RE[2] how to select 'P' atom for g_msd

[Vitaly Chaban]

>> I have to take only single P atom or all Patoms of
>> POPC biliayer ?

You have to use all the atoms MSDs of which you want to be used for
calculating your diffusion constant.


-- 
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svobody sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban